data_1u2u_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 1u2u _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 ' 5' ' ' LEU . . . . . 0.63 HD12 ' HB2' ' B' ' 6' ' ' LYS . 2.9 mt . . . . . 0 CA--C 1.519 -0.227 0 CA-C-O 120.973 0.416 . . . . 0.0 109.92 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -50.96 -27.38 7.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.534 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.78 -24.79 14.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.51 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -68.4 -22.67 64.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.0 t -81.03 -54.61 9.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.259 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.76 -23.94 46.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.999 0.428 . . . . 0.0 110.495 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -67.87 -55.31 13.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.603 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.476 HD12 ' N ' ' B' ' 13' ' ' LYS . 28.9 mt -76.47 -46.3 27.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.837 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -48.26 -28.16 2.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.849 0.357 . . . . 0.0 110.947 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.64 -32.86 28.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.669 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -88.04 -57.1 3.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.537 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 12' ' ' LEU . 18.7 t-20 -47.24 -34.7 6.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.895 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -80.18 -34.52 37.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -29.12 68.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.206 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.8 mt -87.22 -52.0 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.219 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.29 -28.45 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.468 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -85.12 -29.43 24.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.185 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -89.05 -34.07 16.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.875 0.369 . . . . 0.0 111.026 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.6 t -71.64 -29.78 35.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.026 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.66 -19.12 63.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.422 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -110.67 -37.1 5.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.345 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.2 mt -55.91 -62.66 1.55 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.744 0.307 . . . . 0.0 111.211 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.985 -179.843 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.412 ' O ' ' HD2' ' B' ' 7' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 121.976 0.893 . . . . 0.0 112.4 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.473 ' HA ' ' HE3' ' B' ' 7' ' ' LYS . . . -91.17 -43.56 9.79 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 113.708 -1.587 . . . . 0.0 108.569 177.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.468 ' HB3' HD11 ' A' ' 5' ' ' LEU . 2.2 mt -118.76 -36.63 3.42 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 112.777 -2.01 . . . . 0.0 108.508 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.63 ' HB2' HD12 ' A' ' 5' ' ' LEU . 7.3 ttpp -55.45 -24.25 29.84 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.981 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.473 ' HE3' ' HA ' ' B' ' 4' ' ' ALA . 0.0 OUTLIER -85.8 -20.18 29.58 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.778 179.159 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' B' ' 9' ' ' VAL . 0.0 OUTLIER -90.23 -32.64 16.49 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.485 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.475 ' N ' ' HG3' ' B' ' 8' ' ' ARG . 77.3 t -59.76 -35.13 58.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.771 0.32 . . . . 0.0 111.075 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -62.7 -15.17 51.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.324 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.07 -12.26 38.97 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.92 -51.05 4.4 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.757 0.313 . . . . 0.0 111.259 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.476 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.4 -19.29 56.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.797 -178.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.47 -58.26 9.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.357 . . . . 0.0 111.31 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.73 -34.65 24.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -58.49 -43.25 88.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.252 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -57.92 -32.31 67.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.257 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.49 -53.49 11.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.288 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.426 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 0.8 OUTLIER -59.35 -54.25 48.91 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.224 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.76 -28.63 0.25 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.524 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -86.8 -39.55 15.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.84 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.35 -20.01 23.35 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' B' ' 19' ' ' LEU . 96.7 t -42.21 -62.41 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 120.74 0.305 . . . . 0.0 111.612 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -29.96 69.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.01 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.05 -32.56 73.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.176 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 75.4 mt -72.67 -55.67 6.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.029 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.867 0.365 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -67.75 -43.03 80.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.024 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -28.22 65.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -59.47 -25.56 64.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.858 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.1 t -77.07 -61.29 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.467 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.45 -27.73 4.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.958 0.408 . . . . 0.0 110.797 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -66.66 -39.79 88.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.704 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 12.8 mt -92.85 -41.46 10.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -52.48 -24.98 8.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.237 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.2 -35.47 17.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.207 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -87.39 -54.78 4.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.051 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.424 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 48.1 t30 -50.35 -27.91 7.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.353 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -89.1 -48.09 7.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -59.29 -29.64 67.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.4 mt -77.37 -52.93 8.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.939 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -47.44 -28.7 2.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.842 0.353 . . . . 0.0 111.34 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.08 -27.98 15.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.099 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -83.38 -31.98 26.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.985 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.401 ' CG1' ' CD1' ' B' ' 26' ' ' LEU . 38.5 t -64.43 -28.88 45.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.055 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.85 -25.38 63.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.233 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.36 -27.76 13.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.122 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.4 mt -57.52 -60.78 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 111.131 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.029 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.442 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 4.2 pm0 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.798 0.332 . . . . 0.0 111.283 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.11 -29.93 58.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.51 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.519 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 9.5 mt -111.1 -45.31 3.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.576 0.703 . . . . 0.0 109.854 179.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.442 ' HB3' ' HA ' ' B' ' 3' ' ' GLN . 10.6 ttpp -46.71 -33.8 4.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.598 -1.183 . . . . 0.0 111.28 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.408 ' HD3' ' O ' ' B' ' 3' ' ' GLN . 8.3 mtpt -84.62 -43.42 14.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.296 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.519 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -53.55 -24.44 13.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.595 -179.582 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.22 -40.66 88.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.187 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -20.63 49.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.232 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.67 8.69 21.39 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.46 -50.09 2.23 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.885 0.374 . . . . 0.0 110.687 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.448 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.53 -20.54 54.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.507 -179.658 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.54 -51.69 67.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.37 . . . . 0.0 111.381 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.97 -34.04 16.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.077 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.424 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 31.0 t-20 -62.94 -40.47 97.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.02 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -52.72 -33.08 46.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.797 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.6 -46.53 31.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' B' ' 23' ' ' VAL . 0.7 OUTLIER -65.93 -53.71 35.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.158 179.751 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.421 ' HA ' HG22 ' B' ' 23' ' ' VAL . 2.0 tttt -44.88 -28.68 0.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.363 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -83.32 -42.04 17.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.516 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.409 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.15 -14.08 34.34 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.349 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' B' ' 20' ' ' LYS . 43.5 t -48.01 -50.66 10.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.681 0.277 . . . . 0.0 111.06 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -70.63 -33.13 70.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.557 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.29 -29.6 70.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.791 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.401 ' CD1' ' CG1' ' A' ' 23' ' ' VAL . 83.8 mt -70.79 -62.07 1.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.768 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.24 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.4 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.862 0.363 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.45 -27.98 68.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.862 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.45 -32.35 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -61.25 -22.92 65.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.011 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.1 t -80.22 -57.29 5.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.632 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.34 -25.38 23.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -50.72 61.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.659 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 41.5 mt -80.67 -32.36 36.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -59.89 -24.72 64.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.93 -38.55 13.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.144 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.55 -54.23 5.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.426 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 44.0 t30 -50.67 -30.7 14.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -86.13 -43.19 13.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -57.24 -42.39 81.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.4 mt -71.47 -48.34 49.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -51.88 -26.02 9.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.242 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -96.45 -24.85 15.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.198 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -89.94 -26.84 20.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.744 0.306 . . . . 0.0 111.149 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.3 t -76.27 -29.18 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.122 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.85 -24.1 55.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.296 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -96.88 -37.5 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.142 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.7 mt -58.68 -64.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.03 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 121.065 0.46 . . . . 0.0 112.12 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.15 -17.18 1.46 Allowed 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.613 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 2.8 mt -102.83 -29.59 11.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.826 0.822 . . . . 0.0 109.817 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -70.75 -65.85 0.68 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.163 -1.38 . . . . 0.0 111.551 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -18.35 38.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.974 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.613 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -76.43 -27.1 56.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.674 0.273 . . . . 0.0 111.54 -179.531 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.63 -52.19 64.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.47 -28.72 21.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.56 -19.78 62.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.513 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.432 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -90.48 -46.56 8.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.987 0.422 . . . . 0.0 110.864 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -80.19 -17.34 52.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.663 -179.587 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.37 -54.93 41.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.099 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.31 -36.4 29.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.426 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 28.0 t30 -62.74 -39.76 95.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -53.17 -36.56 61.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.378 . . . . 0.0 110.979 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.21 -45.88 62.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.46 -56.08 14.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.075 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.29 -29.17 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.486 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -82.13 -41.17 20.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.645 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -34.33 15.87 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 72.8 t -34.37 -56.66 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.78 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -68.13 -42.67 79.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.557 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.12 -32.37 61.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 80.6 mt -72.87 -63.11 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.783 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.423 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.766 0.317 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.72 -30.34 68.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -90.65 -27.87 18.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.989 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -59.88 -25.23 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.095 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.408 ' CG2' ' CG2' ' B' ' 9' ' ' VAL . 86.4 t -74.64 -60.67 2.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.614 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.23 -25.27 13.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.8 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -72.48 -43.07 64.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.838 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 20.1 mt -86.54 -45.49 11.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.121 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -50.28 -26.47 4.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.269 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.82 -35.09 19.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.7 -55.93 3.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 12' ' ' LEU . 36.3 t30 -48.35 -44.15 34.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.26 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -66.49 -38.42 87.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -70.72 -28.05 64.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.341 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.8 mt -90.99 -47.04 7.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.206 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.42 -25.67 10.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.105 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.14 -26.09 15.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.071 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -89.14 -21.08 23.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.099 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.6 t -89.97 -30.58 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.948 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.72 -28.81 57.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.04 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -87.28 -39.94 14.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.58 -62.39 1.91 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 . . . . . 0 N--CA 1.463 0.183 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.67 -12.45 0.76 Allowed 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.585 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 2.8 mt -110.42 -41.19 4.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.843 0.83 . . . . 0.0 109.603 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.8 ttpp -55.7 -46.03 77.75 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.921 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -79.71 -32.12 41.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.527 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.585 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -69.25 -29.82 67.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.347 -179.449 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.408 ' CG2' ' CG2' ' A' ' 9' ' ' VAL . 94.6 t -66.81 -35.66 75.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.389 . . . . 0.0 110.533 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.406 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 36.7 mt-30 -59.15 -19.23 43.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.193 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.2 10.28 17.42 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.407 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -119.96 -47.09 2.41 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.958 0.409 . . . . 0.0 110.824 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.457 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -83.76 -28.76 27.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.55 -179.4 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -51.26 -49.19 61.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 111.366 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -88.48 -45.08 10.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -56.22 -38.02 70.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.228 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -53.7 -42.38 67.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.027 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.78 -47.72 65.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.973 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.446 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 1.0 OUTLIER -62.49 -58.66 6.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.456 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.403 ' CA ' HG22 ' B' ' 23' ' ' VAL . 11.5 tttm -40.6 -31.7 0.17 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.667 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -84.0 -43.47 15.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.064 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.43 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.52 -3.63 57.47 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -178.479 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' B' ' 19' ' ' LEU . 20.1 t -45.79 -63.74 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 117.984 0.356 . . . . 0.0 111.289 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -60.64 -34.57 74.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.69 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.55 -30.13 69.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.052 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 85.6 mt -79.47 -61.35 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.415 ' CD2' ' CD ' ' B' ' 6' ' ' LYS . 8.7 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.697 0.284 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -86.57 -57.47 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.144 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -56.7 -28.86 61.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.077 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -62.18 -23.31 66.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.939 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.405 ' HA ' ' CD1' ' B' ' 12' ' ' LEU . 79.2 t -73.79 -60.6 2.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.731 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.03 -25.44 21.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.73 -51.33 57.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.73 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 24.0 mt -77.18 -36.37 55.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.715 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -55.24 -24.24 26.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.33 -37.51 18.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.045 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -84.58 -54.62 4.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.749 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -54.29 -24.3 18.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -79.36 -53.64 6.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.293 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -58.15 -33.29 69.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.282 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.9 mt -75.33 -51.7 12.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.014 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -50.71 -26.55 5.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.36 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -94.61 -25.21 16.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.237 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -89.01 -29.79 19.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.811 0.338 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.3 t -78.38 -30.37 15.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.015 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.04 -22.07 65.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.369 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -105.29 -36.08 7.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.183 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.5 mt -57.1 -46.9 82.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.089 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.073 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.498 ' O ' ' CG ' ' B' ' 7' ' ' LYS . 1.5 pm0 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.874 0.369 . . . . 0.0 111.411 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.92 -28.82 10.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.852 0.358 . . . . 0.0 111.077 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.642 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 11.2 mt -115.23 -39.09 3.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.446 0.641 . . . . 0.0 110.403 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.469 ' HB3' ' HA ' ' B' ' 3' ' ' GLN . 0.4 OUTLIER -57.35 -31.94 66.24 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.268 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' B' ' 3' ' ' GLN . 0.8 OUTLIER -90.11 -43.66 10.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.664 -179.601 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.642 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -50.74 -26.67 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.268 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 73.5 t -62.22 -46.03 97.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.145 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.437 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -50.74 -30.22 13.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.236 -179.664 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.23 -13.13 61.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.612 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.411 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -99.3 -47.49 5.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.894 0.378 . . . . 0.0 110.927 -179.798 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.79 -23.57 42.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.713 -179.361 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -55.86 -61.77 2.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.857 0.361 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.45 -38.01 59.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -59.35 -42.06 90.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -53.09 -40.6 64.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.38 -45.33 76.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.071 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.15 -56.55 15.8 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -40.67 -30.22 0.11 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.604 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -82.73 -40.62 20.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.612 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.44 -31.65 16.73 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 88.6 t -40.35 -61.53 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-O 120.748 0.309 . . . . 0.0 111.627 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.401 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 2.4 pt20 -58.2 -28.99 65.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.68 -28.23 62.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.225 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 38.1 mt -78.54 -59.71 2.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.073 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.401 ' CD ' ' HA ' ' B' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.485 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 67.3 mt . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.807 0.337 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -60.83 -75.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.427 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -19.64 61.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.572 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -63.67 -27.69 69.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.684 179.394 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.442 HG22 ' CD ' ' B' ' 8' ' ' ARG . 1.1 t -69.92 -54.88 16.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.708 0.289 . . . . 0.0 110.381 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.32 -27.29 55.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.049 0.452 . . . . 0.0 110.12 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -63.9 -73.39 0.12 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.113 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.707 HD12 ' HB2' ' B' ' 13' ' ' LYS . 0.9 OUTLIER -34.18 -69.21 0.1 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.475 179.303 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -39.37 -35.37 0.26 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.77 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.59 -55.9 8.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.462 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.43 ' HG3' ' NZ ' ' B' ' 13' ' ' LYS . 0.4 OUTLIER -79.1 -50.19 11.43 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.478 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.572 ' N ' ' O ' ' A' ' 12' ' ' LEU . 60.0 t30 -46.53 -29.01 1.59 Allowed 'General case' 0 CA--C 1.528 0.102 0 CA-C-O 120.793 0.33 . . . . 0.0 111.118 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -90.17 -29.14 18.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.894 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -74.51 -41.04 61.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.247 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.3 mt -77.68 -53.32 7.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.157 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -48.19 -28.68 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 111.049 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.91 -30.41 31.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.791 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -88.72 -24.68 22.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.781 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.0 t -79.48 -31.61 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -33.04 71.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.84 -40.74 18.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.737 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.0 mt -58.58 -56.02 27.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.723 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.733 0.301 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.18 -27.23 53.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.723 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.415 HD21 HG22 ' A' ' 9' ' ' VAL . 3.0 mt -110.8 -48.35 3.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.569 0.7 . . . . 0.0 109.563 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.7 -36.45 2.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.654 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -81.23 -37.64 28.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.473 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.442 ' CD ' HG22 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -67.82 -32.03 72.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.736 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.488 ' CG1' ' CD1' ' A' ' 12' ' ' LEU . 29.4 t -59.34 -37.23 68.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-O 121.105 0.479 . . . . 0.0 109.752 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.569 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 27.3 mm-40 -56.27 -58.67 6.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.495 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -41.13 -30.1 0.14 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.659 ' HB2' HD11 ' A' ' 12' ' ' LEU . 1.3 mt -95.19 -79.21 0.44 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.334 0.588 . . . . 0.0 109.528 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.712 ' HA ' ' HB3' ' B' ' 16' ' ' ASN . 13.4 tptt -55.23 -35.12 64.58 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -49.87 -32.02 13.46 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 119.059 -1.056 . . . . 0.0 109.939 -177.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.465 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 12.8 tpt85 -90.61 -28.88 18.14 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.193 178.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.712 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 18.6 t30 -73.26 -51.88 16.03 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.101 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -48.34 -28.58 3.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.187 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.59 -49.33 16.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.06 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' B' ' 15' ' ' ARG . 0.6 OUTLIER -61.95 -55.35 30.37 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.594 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.43 -29.19 0.26 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.59 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -86.4 -40.25 15.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.562 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.4 ' CG ' ' HA ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -90.59 -5.56 55.75 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.823 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' B' ' 19' ' ' LEU . 7.6 t -46.08 -60.88 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-O 120.805 0.336 . . . . 0.0 111.289 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.406 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 6.2 mt-30 -64.15 -38.75 92.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.12 -29.43 60.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.7 mt -77.35 -64.0 1.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.406 ' CD ' ' HA ' ' B' ' 24' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.273 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.6 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.797 0.332 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.11 -56.59 19.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -59.55 -28.75 67.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.108 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -58.99 -25.61 63.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.983 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.429 HG22 ' CD2' ' B' ' 5' ' ' LEU . 58.8 t -81.19 -55.49 8.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.595 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.11 -25.68 23.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.553 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.46 -45.89 74.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.504 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 16' ' ' ASN . 22.1 mt -84.17 -42.86 15.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -48.47 -28.37 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.065 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.26 -37.53 17.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -80.22 -56.86 3.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.703 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 12' ' ' LEU . 42.8 t-20 -50.54 -45.23 56.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.009 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -65.08 -41.57 94.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.784 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -28.04 56.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.258 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.9 mt -98.39 -45.46 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -49.55 -27.92 4.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.185 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.0 -28.61 25.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.095 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.99 -30.82 19.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.853 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.3 t -75.08 -35.09 33.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.36 -23.63 25.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.406 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -109.9 -37.86 5.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.181 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.2 mt -59.62 -45.85 90.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.103 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 0.0 110.966 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.414 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 34.3 mt-30 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.909 0.385 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.02 -29.76 44.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.144 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.563 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 11.9 mt -113.46 -40.73 3.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.794 0.806 . . . . 0.0 109.875 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.414 ' HB3' ' HA ' ' B' ' 3' ' ' GLN . 8.5 ttpt -57.23 -35.55 69.82 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.413 -1.267 . . . . 0.0 111.33 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.41 ' HG2' ' CA ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -90.05 -16.94 28.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.613 -179.459 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.563 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.6 OUTLIER -88.43 -17.76 29.76 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.539 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 84.5 t -63.02 -48.44 87.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.804 0.335 . . . . 0.0 110.804 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 7.3 pt20 -49.52 -33.49 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.03 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.72 -15.22 61.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.608 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.48 -38.6 9.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.722 0.296 . . . . 0.0 111.139 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.423 ' N ' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -90.1 -36.35 14.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.886 -179.194 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -51.2 -41.44 60.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 111.102 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.12 -45.17 9.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.634 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -55.41 -45.73 76.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -52.03 -35.07 45.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.794 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.14 -42.55 55.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.084 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.18 -57.71 8.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -40.9 -30.21 0.12 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.681 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.0 -41.3 18.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.6 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.32 -20.71 22.58 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 96.1 t -45.94 -58.12 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.83 0.348 . . . . 0.0 111.331 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -30.04 67.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.35 -32.56 70.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 22.0 mt -72.97 -60.52 2.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.253 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.403 ' CD2' ' HD3' ' B' ' 6' ' ' LYS . 86.0 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.718 0.294 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -47.86 -29.56 3.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -82.11 -32.7 30.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.589 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -53.8 -28.67 36.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.038 0.447 . . . . 0.0 110.302 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.1 t -83.16 -46.51 18.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.792 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.56 -31.84 71.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.146 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -63.58 1.09 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.722 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.481 HD12 ' N ' ' B' ' 13' ' ' LYS . 70.9 mt -64.9 -42.27 94.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.879 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -44.02 -29.17 0.55 Allowed 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.914 0.388 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.21 -51.31 18.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.634 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 12' ' ' LEU . 3.4 pt-20 -74.47 -47.21 34.78 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.777 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.443 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 54.6 t-20 -57.41 -20.89 32.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.766 0.317 . . . . 0.0 110.578 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -90.16 -48.56 7.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.99 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 12.8 pt20 -50.62 -26.81 5.8 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.541 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.55 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 68.3 mt -85.08 -62.73 1.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.959 0.409 . . . . 0.0 110.104 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -30.36 1.83 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.473 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.78 -34.78 30.16 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.029 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.55 ' HG2' ' HA ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -83.57 -24.48 31.53 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.057 0.456 . . . . 0.0 110.168 179.305 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.401 HG12 ' CD1' ' B' ' 26' ' ' LEU . 57.8 t -63.85 -26.39 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.223 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.25 -21.95 61.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.366 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -108.02 -25.53 11.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.269 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.414 HD12 HG11 ' B' ' 23' ' ' VAL . 8.2 mt -52.86 -71.85 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.156 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.056 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.289 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.82 -14.8 0.07 Allowed 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -178.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.561 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 2.8 mt -108.93 -28.11 9.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.801 0.81 . . . . 0.0 110.068 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.403 ' HD3' ' CD2' ' A' ' 5' ' ' LEU . 8.5 tptt -77.69 -41.93 36.34 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.292 -1.322 . . . . 0.0 111.15 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.26 -6.4 58.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.495 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.561 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -90.16 -25.51 20.63 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.675 0.274 . . . . 0.0 111.313 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.407 HG12 HD11 ' A' ' 12' ' ' LEU . 45.6 t -49.31 -36.53 9.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 CA-C-O 120.764 0.316 . . . . 0.0 110.772 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.447 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -56.28 -24.38 42.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.607 179.638 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.27 -28.71 64.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.417 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' B' ' 16' ' ' ASN . 0.8 OUTLIER -82.16 -33.61 29.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.671 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.481 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -90.38 -38.36 13.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.854 -179.588 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -59.44 -35.11 73.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.062 0.458 . . . . 0.0 110.496 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.54 -35.97 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.248 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.448 ' CB ' ' O ' ' B' ' 12' ' ' LEU . 22.0 t30 -69.48 -52.93 21.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.525 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -47.38 -42.82 22.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.579 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.74 -45.3 92.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.443 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.589 ' HA ' ' HG2' ' B' ' 22' ' ' LYS . 1.1 mt -56.98 -49.2 76.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 0.0 110.406 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -43.03 -29.92 0.39 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.075 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -81.97 -51.58 7.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.589 ' HG2' ' HA ' ' B' ' 19' ' ' LEU . 15.7 ptmt -70.11 -39.05 75.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.053 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.414 HG11 HD12 ' A' ' 26' ' ' LEU . 43.1 t -30.28 -57.46 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.192 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.602 ' HA ' ' HD3' ' B' ' 27' ' ' ARG . 3.7 pt20 -59.21 -46.92 87.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.078 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.64 -31.38 66.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.809 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.414 ' HG ' ' CA ' ' B' ' 23' ' ' VAL . 3.1 mt -64.51 -48.05 76.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.719 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.602 ' HD3' ' HA ' ' B' ' 24' ' ' GLN . 2.1 ptt-85 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.083 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.5 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.886 0.374 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -58.2 -39.31 78.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.47 -27.01 24.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.642 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -56.28 -27.75 56.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.995 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.405 ' HA ' ' CD1' ' B' ' 12' ' ' LEU . 40.5 t -74.63 -57.27 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.536 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.7 -25.46 64.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.752 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -66.98 -57.27 7.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.436 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 71.3 mt -62.17 -35.72 79.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -56.74 -24.66 51.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.809 0.338 . . . . 0.0 110.785 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.03 -37.37 14.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.716 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.04 -56.85 3.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.586 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' LEU . 48.9 t-20 -50.58 -28.22 8.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.991 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -88.25 -21.88 24.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -85.62 9.57 15.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.762 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.7 mt -127.15 -50.69 1.43 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.856 0.36 . . . . 0.0 110.411 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -48.95 -27.9 3.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.04 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.37 -28.46 18.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.779 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.11 -26.12 31.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.746 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.6 t -70.64 -30.55 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.213 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.37 -24.61 30.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.719 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -111.08 -39.21 4.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.238 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.4 mt -57.36 -33.45 67.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.173 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.436 ' N ' HD11 ' B' ' 26' ' ' LEU . 5.1 pt-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.24 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 121.053 0.454 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.08 -17.9 0.16 Allowed 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.667 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 2.9 mt -107.38 -41.68 5.02 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.795 0.807 . . . . 0.0 109.894 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -50.89 -53.42 32.71 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.403 -1.271 . . . . 0.0 111.267 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -26.14 62.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.652 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.667 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -71.72 -29.26 64.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.813 0.339 . . . . 0.0 110.923 -179.789 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.43 ' N ' ' HG3' ' B' ' 8' ' ' ARG . 88.8 t -67.82 -32.43 56.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.572 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.434 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 84.6 mt-30 -59.3 -34.18 71.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.676 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.0 -15.7 59.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.782 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.406 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -99.11 -42.55 7.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.851 0.358 . . . . 0.0 110.965 -179.746 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.436 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -85.51 -25.15 27.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.892 -179.227 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -53.38 -48.48 68.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.874 0.368 . . . . 0.0 110.908 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -83.87 -43.64 15.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.474 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.408 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 45.9 t30 -56.55 -52.19 65.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.093 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -52.35 -36.69 54.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.68 -50.7 56.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.704 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.626 ' HA ' ' CG ' ' B' ' 22' ' ' LYS . 0.6 OUTLIER -65.12 -52.91 52.58 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.537 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -39.9 -30.63 0.09 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.916 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -44.97 20.52 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.085 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.626 ' CG ' ' HA ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -81.93 -27.64 33.22 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.224 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.7 t -47.13 -59.7 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.291 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -56.64 -37.55 70.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.66 -41.26 90.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.8 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.436 HD11 ' N ' ' A' ' 27' ' ' GLU . 93.8 mt -60.33 -64.24 1.02 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.747 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.248 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.2 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.814 0.34 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -57.45 -49.05 77.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -26.87 42.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.004 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -55.66 -28.57 56.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.899 0.38 . . . . 0.0 110.641 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.436 ' CG2' ' HD2' ' B' ' 8' ' ' ARG . 65.0 t -75.13 -58.47 4.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.521 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.46 -29.71 50.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -61.73 -53.91 49.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.843 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 47.1 mt -71.02 -29.44 65.37 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.974 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -62.61 -27.64 69.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.667 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.23 -30.86 18.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.82 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.1 -56.92 3.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.694 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' LEU . 45.1 t-20 -50.72 -28.13 8.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -89.29 -35.45 16.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.68 -24.36 65.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.526 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.7 mt -91.47 -46.98 7.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.654 0.264 . . . . 0.0 111.091 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.24 -42.12 13.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.865 0.364 . . . . 0.0 111.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.76 -25.82 62.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.79 -28.26 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.404 ' CG1' ' CD1' ' B' ' 26' ' ' LEU . 9.0 t -78.76 -31.62 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.48 -28.36 63.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.279 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -99.07 -37.77 9.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.0 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.1 mt -61.25 -41.67 97.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.954 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.286 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.776 0.322 . . . . 0.0 111.375 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.05 -21.48 66.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.939 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.461 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 9.3 mt -111.75 -48.93 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.707 0.765 . . . . 0.0 109.786 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -42.7 -36.97 1.58 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.53 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.68 -31.32 36.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.241 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.461 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -71.35 -26.01 62.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.337 . . . . 0.0 111.052 -179.835 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.405 ' CG1' HD13 ' A' ' 12' ' ' LEU . 70.0 t -68.02 -40.79 83.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.73 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -55.74 -31.83 62.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.57 -17.47 64.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.637 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.414 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -95.17 -46.8 6.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.869 0.366 . . . . 0.0 110.864 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.74 -18.47 51.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.627 -179.613 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.41 -53.75 54.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.895 0.379 . . . . 0.0 111.029 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.463 ' HD3' ' CD1' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -84.28 -33.13 24.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.416 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 62.1 t-20 -61.77 -50.5 72.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 110.743 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -50.16 -31.84 14.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.009 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.43 -54.17 11.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.463 ' CD1' ' HD3' ' B' ' 15' ' ' ARG . 1.0 OUTLIER -66.21 -52.66 45.78 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.501 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.447 ' HA ' HG22 ' B' ' 23' ' ' VAL . 0.1 OUTLIER -45.19 -30.17 1.12 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.15 179.412 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -81.81 -43.85 17.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.72 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.422 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.33 0.55 57.2 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.574 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.447 HG22 ' HA ' ' B' ' 20' ' ' LYS . 35.5 t -49.06 -61.75 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.937 0.398 . . . . 0.0 110.872 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -62.11 -33.36 74.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.837 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.14 -29.69 70.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.404 ' CD1' ' CG1' ' A' ' 23' ' ' VAL . 94.8 mt -74.66 -50.1 18.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.879 0.371 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -63.15 -41.27 99.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.767 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -72.55 -31.49 65.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.673 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -58.22 -24.8 60.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.941 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.419 ' HA ' ' CD1' ' B' ' 12' ' ' LEU . 87.6 t -75.08 -59.78 2.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.708 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -24.32 30.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -67.9 -56.55 8.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.852 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 47.5 mt -70.46 -30.87 67.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.961 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -59.47 -27.17 65.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.721 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.14 -37.1 14.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -80.76 -55.16 5.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 12' ' ' LEU . 39.9 t30 -50.33 -33.99 22.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.045 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -78.1 -41.81 34.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -56.48 -34.89 67.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.31 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.4 mt -84.96 -42.56 14.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.943 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -51.84 -26.53 10.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.107 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -94.65 -26.5 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.024 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -86.52 -25.48 25.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.989 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.1 t -85.99 -35.3 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.33 -31.29 67.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.993 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -78.68 -39.83 35.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.5 mt -65.98 -69.14 0.32 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.901 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.422 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.835 0.35 . . . . 0.0 111.252 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.03 -28.37 16.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.563 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.441 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 10.1 mt -112.23 -49.05 2.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 109.43 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.422 ' HB3' ' HA ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -45.05 -34.38 2.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.803 179.062 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -76.1 -46.22 29.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.441 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -55.46 -24.06 28.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.296 -179.844 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.35 -45.52 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.17 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.403 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 1.4 pp0? -52.37 -26.98 13.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.277 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.15 -11.62 60.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.758 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' ' 9' ' ' VAL . 0.5 OUTLIER -99.59 -49.09 4.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.38 . . . . 0.0 110.987 -179.798 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.448 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -78.53 -19.13 53.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.719 -179.336 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -55.15 -54.94 36.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 111.152 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 tpt85 -82.19 -39.39 23.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.42 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 38.8 t30 -56.71 -48.88 76.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -54.84 -31.57 59.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.968 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.04 -54.84 8.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.993 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.426 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 0.8 OUTLIER -59.28 -53.67 55.57 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.531 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.421 ' HA ' HG22 ' B' ' 23' ' ' VAL . 3.1 ttmt -41.97 -30.38 0.27 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.468 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -85.23 -40.04 17.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.989 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.3 -18.3 25.84 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' B' ' 19' ' ' LEU . 92.7 t -43.64 -58.99 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 120.785 0.326 . . . . 0.0 111.425 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.12 -28.72 69.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.917 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.41 -36.14 73.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 83.2 mt -67.01 -60.56 2.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.779 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.241 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.411 ' CD2' ' HD3' ' B' ' 6' ' ' LYS . 31.9 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.808 0.337 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -78.25 -35.16 48.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.771 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -29.43 47.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.801 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -58.49 -25.78 62.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.825 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.0 t -73.55 -60.75 2.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.579 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.37 -26.21 11.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -68.92 -47.59 65.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.742 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 16' ' ' ASN . 19.2 mt -83.23 -32.74 26.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -59.99 -24.45 64.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.958 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.03 -35.61 15.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.041 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.17 -55.34 3.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 12' ' ' LEU . 48.4 t30 -50.42 -29.26 9.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -86.81 -44.6 11.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -63.7 -19.81 65.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.413 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.3 mt -93.65 -55.48 3.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.798 0.332 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -46.48 -28.88 1.52 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.402 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.53 -29.78 19.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.96 -35.84 25.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.5 t -59.74 -30.18 44.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.012 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.44 -30.5 71.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -87.36 -34.64 18.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.791 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.18 -66.32 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.783 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.5 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 2.9 tt0 . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 121.047 0.451 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.79 -35.64 66.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.894 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.525 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 4.6 mt -111.52 -8.91 14.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.296 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.5 ' HB3' ' HA ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -81.57 -34.24 31.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.82 -179.246 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -89.23 -19.22 25.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.29 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.525 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -74.73 -26.49 59.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.707 0.289 . . . . 0.0 111.089 -179.823 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 57.3 t -63.18 -45.85 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.229 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 2.6 pt20 -52.4 -25.53 10.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.148 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.92 -12.39 60.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.7 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.59 -49.56 4.58 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.875 0.369 . . . . 0.0 111.127 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.407 ' N ' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.11 -19.49 56.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.642 -179.42 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -55.61 -56.74 16.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.867 0.365 . . . . 0.0 111.182 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -82.06 -41.4 20.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.051 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.405 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 34.5 t-20 -54.22 -42.93 70.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -53.67 -36.5 62.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.932 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.43 -46.89 45.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.406 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 0.7 OUTLIER -65.86 -55.3 17.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.578 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -43.03 -29.92 0.38 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.407 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -81.75 -42.02 20.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.569 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -19.37 24.21 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' B' ' 19' ' ' LEU . 62.1 t -45.39 -60.62 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.748 0.308 . . . . 0.0 111.3 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.429 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 9.0 mt-30 -63.17 -34.48 77.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.652 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.79 97.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 46.4 mt -61.44 -62.98 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.429 ' CD ' ' HA ' ' B' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.445 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.7 mt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.779 0.324 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -65.27 -51.57 59.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.805 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -59.53 -27.99 66.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.765 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -58.06 -26.47 62.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.2 t -77.27 -59.07 3.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.697 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.5 -25.5 16.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.964 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.28 -48.6 77.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.665 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.419 ' HA ' ' CG ' ' A' ' 15' ' ' GLU . 17.2 mt -83.5 -41.09 18.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.811 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -46.38 -27.56 1.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.177 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.92 -49.3 12.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.393 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.419 ' CG ' ' HA ' ' A' ' 12' ' ' LEU . 2.8 pt-20 -78.43 -46.24 20.29 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.55 -179.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.421 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 41.6 t30 -55.27 -31.77 61.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.851 0.357 . . . . 0.0 110.971 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -89.27 -36.65 15.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.696 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -64.14 -40.75 96.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.5 mt -72.31 -45.66 59.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -47.36 -29.03 2.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.86 0.362 . . . . 0.0 111.199 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -95.73 -29.03 14.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -80.03 -25.79 40.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.402 ' CG1' ' CD1' ' B' ' 26' ' ' LEU . 20.1 t -77.2 -30.54 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.72 -30.92 69.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.022 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -90.38 -30.54 17.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.0 mt -66.36 -46.54 76.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.161 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.428 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.035 0 CA-C-O 120.776 0.322 . . . . 0.0 111.342 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.41 -29.56 16.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.756 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.412 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 8.1 mt -112.09 -44.32 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.675 0.75 . . . . 0.0 109.923 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.428 ' HB3' ' HA ' ' B' ' 3' ' ' GLN . 13.0 ttpp -49.9 -29.4 8.18 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.296 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -89.91 -21.71 22.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.598 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.412 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -74.82 -24.43 58.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.761 0.315 . . . . 0.0 111.112 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.49 -49.0 81.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.218 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 3.7 pt20 -50.73 -27.34 6.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.233 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.44 -14.24 62.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.725 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.408 ' HA ' ' ND2' ' A' ' 16' ' ' ASN . 0.6 OUTLIER -99.19 -45.96 5.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.839 0.352 . . . . 0.0 111.027 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.408 ' N ' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.94 -17.24 53.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.72 -179.413 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -61.8 -59.35 5.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 111.05 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.22 -29.33 34.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.421 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 24.3 t30 -65.61 -46.99 77.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.949 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -54.57 -32.53 58.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.59 -45.39 75.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.57 -50.81 63.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.85 0.357 . . . . 0.0 110.097 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.79 -29.65 0.82 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.381 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -79.19 -41.68 27.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.672 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.421 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.25 -24.54 20.91 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -179.336 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 54.1 t -42.74 -61.08 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.734 0.302 . . . . 0.0 111.434 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.511 ' HA ' ' HD3' ' B' ' 27' ' ' ARG . 8.1 pt20 -64.94 -15.46 62.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.276 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.93 -25.26 32.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.922 0.392 . . . . 0.0 110.59 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 56.4 mt -79.08 -52.05 8.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.291 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.511 ' HD3' ' HA ' ' B' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.31 -179.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.6 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -58.54 -55.99 27.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -25.25 66.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.091 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -56.77 -28.64 61.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.815 0.34 . . . . 0.0 110.715 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.415 ' CG2' ' HD2' ' B' ' 8' ' ' ARG . 72.3 t -79.75 -55.84 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.406 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.77 -27.82 31.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.51 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -63.34 -49.27 74.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.61 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 16' ' ' ASN . 18.8 mt -82.9 -34.72 26.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -56.67 -25.08 52.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.959 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.1 -38.26 13.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.007 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.67 -55.08 4.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' LEU . 53.9 t30 -52.89 -29.67 29.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.235 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -80.95 -43.88 19.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -60.83 -27.58 68.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.174 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 mt -88.94 -54.83 3.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.121 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.5 -28.09 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.494 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.72 -27.78 19.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.186 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -86.51 -33.05 20.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.082 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.0 t -66.83 -29.89 47.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.18 -16.21 61.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.55 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -112.54 -29.1 7.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.661 0.267 . . . . 0.0 111.242 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.4 mt -62.46 -76.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.11 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.106 -179.744 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.442 ' O ' ' HD3' ' B' ' 7' ' ' LYS . 10.0 mt-30 . . . . . 0 C--O 1.23 0.031 0 CA-C-O 120.976 0.417 . . . . 0.0 111.385 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.18 -28.87 56.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.607 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.488 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 8.9 mt -112.35 -45.73 3.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.65 0.738 . . . . 0.0 109.809 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -45.68 -36.63 5.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.625 -1.171 . . . . 0.0 111.125 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.442 ' HD3' ' O ' ' B' ' 3' ' ' GLN . 0.1 OUTLIER -84.3 -39.23 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.844 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.488 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -58.72 -25.12 62.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 58.9 t -65.98 -44.69 92.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -53.05 -25.17 11.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.104 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.39 -5.31 44.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.742 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.04 -48.25 3.41 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.917 0.389 . . . . 0.0 111.109 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.415 ' N ' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -78.27 -19.11 54.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.686 -179.426 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.6 78.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.824 0.345 . . . . 0.0 111.335 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -38.59 14.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.403 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 49.3 t-20 -56.67 -41.76 77.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.173 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -51.52 -37.53 49.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.059 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.81 -47.65 37.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.043 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' B' ' 23' ' ' VAL . 0.7 OUTLIER -64.33 -53.66 45.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.955 0.407 . . . . 0.0 110.14 179.737 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -44.89 -27.29 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.472 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.07 -43.33 11.77 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.275 -0.421 . . . . 0.0 112.007 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.409 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.11 -33.85 16.11 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' B' ' 19' ' ' LEU . 53.4 t -38.62 -63.67 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -179.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -55.26 -29.38 57.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.12 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.14 -38.77 69.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.085 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 28.5 mt -67.43 -39.88 85.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.465 -179.919 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.874 0.369 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -54.2 -44.25 71.43 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.07 -29.15 70.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.713 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -58.19 -27.3 63.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.494 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.1 t -84.79 -48.59 16.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.155 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.62 -27.26 64.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.396 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -58.74 -63.56 1.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.579 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.491 HD12 ' N ' ' B' ' 13' ' ' LYS . 53.3 mt -66.96 -39.73 87.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.639 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -48.55 -28.36 3.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.869 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.24 -42.22 16.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.713 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -76.7 -57.45 3.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.525 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 12' ' ' LEU . 59.0 t-20 -49.39 -28.31 4.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.023 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -73.8 -33.29 64.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.484 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -63.21 -28.69 70.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.99 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.429 HD13 ' CD ' ' B' ' 20' ' ' LYS . 14.1 mt -92.34 -56.53 3.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -46.66 -31.41 2.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -70.74 -36.17 73.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -88.26 -27.35 21.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.445 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.6 t -80.68 -51.18 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.465 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.23 -39.91 88.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.555 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -70.58 -43.81 68.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.585 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.405 HD12 ' N ' ' B' ' 27' ' ' ARG . 11.7 mt -54.99 -69.5 0.13 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.208 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.819 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.674 0.273 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.18 -24.69 54.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.446 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.416 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 4.8 mt -110.39 -44.94 3.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.718 0.771 . . . . 0.0 109.68 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.48 -45.07 25.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.471 -1.24 . . . . 0.0 111.37 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -6.51 58.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.545 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.416 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -89.4 -24.92 21.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.782 0.325 . . . . 0.0 111.251 -179.862 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 69.1 t -53.45 -46.59 59.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.113 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -54.06 -24.33 16.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.049 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.98 -22.32 59.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.543 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mt -89.37 -39.42 13.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.892 0.377 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.493 ' HA ' ' HB3' ' B' ' 16' ' ' ASN . 0.0 OUTLIER -85.77 -21.08 28.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.526 -179.597 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.8 -46.34 71.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.015 0.436 . . . . 0.0 110.514 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.532 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -88.35 -54.75 4.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.777 178.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.493 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 45.7 t30 -38.9 -33.51 0.12 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.655 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -67.67 -66.8 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.961 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.49 -54.38 37.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.068 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' B' ' 15' ' ' ARG . 10.9 mt -48.67 -51.12 30.08 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.704 0.288 . . . . 0.0 110.634 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' B' ' 16' ' ' ASN . 0.2 OUTLIER -41.57 -32.7 0.38 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.313 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -87.63 -41.12 13.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.139 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.472 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.55 -4.93 56.54 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.567 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' B' ' 19' ' ' LEU . 59.1 t -49.15 -52.42 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.714 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.409 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 3.5 pt20 -69.69 -29.23 66.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.702 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.9 -32.95 74.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 19.1 mt -67.91 -55.01 14.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.409 ' CD ' ' HA ' ' B' ' 24' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.427 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.4 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.816 0.341 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -58.81 -33.87 70.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.605 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -80.51 -27.7 37.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.505 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -55.81 -28.32 55.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.662 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.41 ' CG2' ' HD2' ' B' ' 8' ' ' ARG . 96.0 t -75.64 -55.34 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.557 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.07 -26.83 61.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.629 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -64.94 -57.67 8.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.655 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 16' ' ' ASN . 42.2 mt -68.86 -31.41 70.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.793 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -58.62 -28.25 65.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.595 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.16 -39.24 12.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.68 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -77.46 -57.02 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.667 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 12' ' ' LEU . 44.5 t30 -50.65 -32.47 19.2 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -83.31 -28.55 28.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -74.67 -26.37 59.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.164 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.7 mt -95.77 -51.68 4.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.113 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -48.43 -28.88 3.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 111.074 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -28.4 21.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.49 -38.27 20.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.879 0.371 . . . . 0.0 110.833 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.4 t -63.52 -31.15 51.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.724 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.46 -13.04 61.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.202 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.65 -2.92 11.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.322 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.0 mt -97.54 -52.95 3.6 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 120.677 0.275 . . . . 0.0 111.58 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.426 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 16.9 pt20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.9 0.381 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.88 -26.89 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.846 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.4 HD22 ' NE ' ' B' ' 8' ' ' ARG . 10.4 mt -112.39 -46.97 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.659 0.742 . . . . 0.0 109.684 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.426 ' HB3' ' HA ' ' B' ' 3' ' ' GLN . 0.1 OUTLIER -49.03 -30.98 6.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.508 -1.223 . . . . 0.0 110.879 179.301 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' B' ' 3' ' ' GLN . 0.6 OUTLIER -81.28 -27.08 35.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.196 -179.895 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.41 ' HD2' ' CG2' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.07 -25.57 55.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.757 0.313 . . . . 0.0 110.892 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.417 ' CG1' HD11 ' A' ' 12' ' ' LEU . 59.7 t -62.16 -30.04 47.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -60.21 -21.06 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.985 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.25 6.37 19.8 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.783 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.404 ' CD1' ' HA ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -121.52 -39.94 2.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.772 0.32 . . . . 0.0 110.877 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.87 -21.4 23.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.444 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.63 -58.53 6.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.878 0.371 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -41.53 59.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -56.89 -49.59 75.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.023 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -48.5 -39.37 22.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.081 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.43 -48.85 66.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.567 ' HA ' ' HG2' ' B' ' 22' ' ' LYS . 0.6 OUTLIER -67.21 -52.77 37.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 109.982 179.72 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -42.05 -30.5 0.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.62 -39.79 36.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.315 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.567 ' HG2' ' HA ' ' B' ' 19' ' ' LEU . 13.6 ptmt -88.19 -41.22 13.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.944 -179.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' B' ' 22' ' ' LYS . 39.8 t -31.29 -56.3 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -60.01 -46.02 90.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' B' ' 22' ' ' LYS . . . -58.83 -38.81 79.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 23.7 mt -66.59 -58.32 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.603 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.8 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.764 0.316 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.16 -46.59 88.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -63.27 -36.84 85.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.402 ' HG2' ' CG1' ' B' ' 9' ' ' VAL . 1.5 tt0 -63.07 -19.26 64.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.097 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.401 ' CG2' ' HD2' ' B' ' 8' ' ' ARG . 77.3 t -77.21 -59.96 2.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.766 0.317 . . . . 0.0 110.544 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.16 -26.38 50.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.74 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -64.61 -45.87 85.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.64 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 19.9 mt -86.42 -32.5 20.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.032 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -59.67 -23.96 63.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.138 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.17 -34.14 15.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.184 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -89.43 -53.28 4.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 12' ' ' LEU . 48.3 t30 -49.55 -30.14 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.283 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -85.06 -30.87 23.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.101 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -70.04 -31.25 68.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.351 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.8 mt -87.0 -38.46 16.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.093 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -53.8 -25.98 21.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.123 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -95.68 -24.61 16.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.134 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -89.96 -23.1 21.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.228 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.9 t -90.02 -28.22 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.265 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.64 -26.0 20.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.516 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -104.46 -40.05 6.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.136 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.417 ' HB3' ' CB ' ' B' ' 26' ' ' LEU . 80.2 mt -59.17 -33.25 70.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.919 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 121.23 0.538 . . . . 0.0 112.031 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.31 -17.35 7.48 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.765 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.709 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 10.7 mt -105.45 -11.29 16.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.459 0.647 . . . . 0.0 110.323 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.78 -70.55 0.66 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.993 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.4 -26.19 40.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.948 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.709 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -64.6 -31.6 72.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.944 -179.813 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.451 ' N ' ' HG3' ' B' ' 8' ' ' ARG . 99.6 t -61.78 -48.93 86.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.539 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.421 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 1.9 mt-30 -55.54 -24.28 31.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.777 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.43 -20.65 54.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.465 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.431 ' CD1' ' HA ' ' B' ' 9' ' ' VAL . 0.7 OUTLIER -87.75 -47.64 8.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.094 0.473 . . . . 0.0 110.38 179.827 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.477 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.74 -23.22 49.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.593 -179.508 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -53.25 -58.48 6.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.92 0.39 . . . . 0.0 110.861 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.407 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 3.3 tpt180 -74.84 -49.61 19.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.468 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.413 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 38.8 t-20 -49.6 -52.52 29.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.2 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -51.29 -40.7 59.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.944 0.402 . . . . 0.0 110.714 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.42 -48.94 73.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.608 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.446 ' HA ' ' HG3' ' B' ' 22' ' ' LYS . 1.3 mt -61.3 -56.44 20.49 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.17 -31.2 0.07 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.683 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -83.17 -41.75 18.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.878 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.446 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -90.31 -23.73 21.07 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.716 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' B' ' 19' ' ' LEU . 65.8 t -41.38 -66.78 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 120.72 0.295 . . . . 0.0 111.388 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -57.89 -31.05 66.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.711 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.61 -39.87 88.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.749 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.417 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . 76.7 mt -60.6 -64.1 1.07 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.525 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.077 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.8 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.86 0.362 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.14 -66.37 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.723 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.7 -21.77 30.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.949 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -57.63 -31.08 65.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.88 0.371 . . . . 0.0 110.2 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.407 HG22 ' CD ' ' B' ' 8' ' ' ARG . 12.4 t -78.83 -48.54 21.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.933 178.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.85 -30.38 5.73 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 121.324 0.583 . . . . 0.0 109.614 178.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.24 -73.9 0.12 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.48 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.756 HD23 ' HB2' ' B' ' 13' ' ' LYS . 0.6 OUTLIER -38.36 -61.47 0.68 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.368 179.318 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -52.58 -30.01 28.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.349 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.49 -36.75 16.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.168 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -90.14 -53.99 4.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.827 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.632 ' N ' ' O ' ' A' ' 12' ' ' LEU . 52.5 t-20 -47.94 -28.71 2.85 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.795 0.331 . . . . 0.0 110.907 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -80.67 -45.87 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.18 -41.96 60.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.6 mt -73.59 -51.47 16.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.655 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -49.23 -28.24 4.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.24 -28.64 27.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -89.4 -29.56 18.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.3 t -75.04 -27.81 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.25 -26.9 53.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.3 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -95.74 -33.15 12.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.953 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.3 mt -59.61 -69.22 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.459 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 8.5 pt20 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.698 0.285 . . . . 0.0 111.378 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.77 -29.93 42.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.68 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.405 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 8.5 mt -110.01 -43.45 3.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.686 0.755 . . . . 0.0 109.637 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.459 ' HB3' ' HA ' ' B' ' 3' ' ' GLN . 0.3 OUTLIER -51.69 -44.4 63.12 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.352 -1.295 . . . . 0.0 111.242 179.601 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -76.55 -24.52 53.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.328 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.407 ' CD ' HG22 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -68.71 -25.63 64.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.107 -179.771 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.488 ' HA ' ' CD1' ' A' ' 12' ' ' LEU . 77.1 t -58.0 -31.82 42.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-O 121.132 0.491 . . . . 0.0 109.876 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 41.2 mt-30 -66.48 -12.51 57.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.934 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -91.26 -31.87 15.96 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.652 HD11 ' HB2' ' A' ' 12' ' ' LEU . 1.1 mt -91.41 -85.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.674 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.756 ' HB2' HD23 ' A' ' 12' ' ' LEU . 8.1 tptt -43.0 -29.62 0.35 Allowed 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 123.435 0.694 . . . . 0.0 112.753 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -43.07 -38.51 2.38 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 121.295 0.569 . . . . 0.0 110.634 -177.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.494 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 5.1 tmm_? -90.34 -30.15 17.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.175 178.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.535 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 63.9 t-20 -60.7 -50.93 71.51 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.938 0.399 . . . . 0.0 111.091 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -53.61 -30.3 41.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.273 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.51 -55.44 5.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.282 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' B' ' 15' ' ' ARG . 1.1 mt -58.74 -52.32 66.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.791 0.329 . . . . 0.0 110.188 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.5 -29.34 0.69 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.597 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -86.01 -40.11 16.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.854 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.451 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.46 -5.56 55.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -178.823 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' B' ' 19' ' ' LEU . 19.7 t -43.54 -65.53 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-O 120.748 0.309 . . . . 0.0 111.356 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -67.69 -32.1 72.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.601 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.14 -31.73 72.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 22.8 mt -69.54 -63.6 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.745 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.192 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.588 HD12 ' CB ' ' B' ' 6' ' ' LYS . 10.5 mt . . . . . 0 C--O 1.231 0.114 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -45.94 67.13 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.95 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 1.3 mptt -66.96 -26.72 66.96 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.251 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.11 -21.76 62.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.988 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.416 ' HA ' ' CD1' ' B' ' 12' ' ' LEU . 43.8 t -76.36 -59.25 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.331 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.7 -29.34 17.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.981 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.27 -56.46 20.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.457 179.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 16' ' ' ASN . 61.2 mt -70.37 -31.57 68.87 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.866 0.365 . . . . 0.0 110.696 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -59.72 -25.72 65.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.662 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.04 -35.8 15.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.766 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -82.97 -57.78 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.591 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 12' ' ' LEU . 37.9 t30 -47.71 -31.05 4.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -82.75 -39.64 21.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.834 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.98 -27.84 68.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.246 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.0 mt -90.37 -52.34 4.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.161 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -47.7 -28.34 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 111.35 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.45 -28.5 16.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.154 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.06 -33.54 24.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.995 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.1 t -62.86 -32.9 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.033 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.65 -27.7 68.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.035 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -93.24 -34.33 13.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.2 mt -57.63 -57.2 13.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.56 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.303 0 CA-C-O 121.4 0.619 . . . . 0.0 110.309 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -45.91 -50.51 14.47 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.419 177.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.432 ' HB2' HD11 ' A' ' 5' ' ' LEU . 5.9 mt -123.22 -9.18 8.14 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.243 -1.799 . . . . 0.0 108.709 177.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.588 ' CB ' HD12 ' A' ' 5' ' ' LEU . 8.7 ttpp -81.1 -20.92 40.42 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.363 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.406 ' HB3' ' CG ' ' B' ' 3' ' ' GLN . 2.0 ptmt -78.89 -20.48 49.36 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 177.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' B' ' 9' ' ' VAL . 0.0 OUTLIER -90.05 -30.13 17.93 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.119 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.461 ' N ' ' HG3' ' B' ' 8' ' ' ARG . 91.6 t -63.81 -31.31 52.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.599 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 4.5 mt-30 -59.74 -21.82 61.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.053 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.7 2.67 25.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.947 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.416 ' CD1' ' HA ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -113.93 -50.43 2.83 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.897 0.379 . . . . 0.0 110.822 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.431 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -78.94 -19.09 52.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.596 -179.652 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -55.82 -62.33 1.77 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.898 0.38 . . . . 0.0 111.035 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -71.05 -39.11 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.767 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -60.43 -43.1 97.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.955 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -52.17 -36.87 52.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.142 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.05 -49.67 48.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' B' ' 23' ' ' VAL . 0.9 OUTLIER -65.67 -51.58 58.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.837 0.351 . . . . 0.0 110.091 179.623 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.445 ' HA ' HG22 ' B' ' 23' ' ' VAL . 5.5 tttm -45.76 -29.72 1.4 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.287 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.87 -42.37 21.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.634 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -14.49 33.4 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.445 HG22 ' HA ' ' B' ' 20' ' ' LYS . 42.5 t -46.82 -67.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.798 0.332 . . . . 0.0 111.187 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -59.78 -29.12 67.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.867 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.67 -38.87 84.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.028 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 39.1 mt -62.58 -61.0 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.6 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -62.89 -39.86 95.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -75.17 -30.55 60.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.748 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -58.63 -25.4 62.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.719 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.8 t -81.53 -55.03 8.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.416 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.82 -25.95 21.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.652 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -65.08 -47.58 76.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.424 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 16' ' ' ASN . 19.6 mt -85.99 -48.47 8.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.693 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -46.83 -28.67 1.64 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.225 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.66 -31.51 22.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.096 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -90.06 -56.41 3.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' LEU . 40.2 t30 -49.63 -44.58 47.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.202 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -67.63 -41.99 83.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.98 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -59.79 -32.2 70.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.8 mt -89.64 -45.81 9.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.09 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -47.01 -28.73 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.339 . . . . 0.0 111.263 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.0 tp60 -94.41 -31.02 14.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.69 -26.2 41.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.749 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.1 t -75.77 -26.44 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.147 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.77 -16.93 60.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.552 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -111.89 -34.15 6.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.603 0.239 . . . . 0.0 111.309 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.402 ' CD2' ' HB3' ' B' ' 27' ' ' ARG . 50.5 mt -55.18 -49.53 71.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.271 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.451 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 0.4 OUTLIER . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.667 0.27 . . . . 0.0 111.337 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.71 -29.59 62.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.378 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.537 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 10.0 mt -111.13 -44.52 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.711 0.767 . . . . 0.0 109.762 179.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.451 ' HB3' ' HA ' ' B' ' 3' ' ' GLN . 0.7 OUTLIER -48.11 -35.05 10.73 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.368 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -90.04 -28.71 18.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.427 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.537 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -65.65 -27.44 68.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.722 0.296 . . . . 0.0 110.987 -179.84 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.05 -41.49 83.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -57.59 -22.31 44.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.025 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.97 2.03 40.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.815 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.6 -37.8 4.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.833 0.349 . . . . 0.0 110.84 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.1 -21.92 22.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.462 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.72 -51.8 68.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -83.88 -33.94 24.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.984 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -63.22 -47.32 83.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -48.87 -30.3 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.141 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.76 -53.18 8.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.899 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.439 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 0.8 OUTLIER -63.73 -51.72 63.67 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.478 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.452 ' HA ' HG22 ' B' ' 23' ' ' VAL . 2.4 tttt -44.42 -29.61 0.72 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.201 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -85.58 -39.56 17.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.693 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.418 ' CG ' ' HA ' ' B' ' 19' ' ' LEU . 0.2 OUTLIER -90.45 -5.04 56.56 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.848 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.452 HG22 ' HA ' ' B' ' 20' ' ' LYS . 21.5 t -47.66 -66.87 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.192 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -62.6 -36.42 82.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.835 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.17 -27.45 63.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 20.5 mt -78.37 -55.47 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.935 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.402 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.295 -179.739 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.7 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.77 0.319 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.86 -74.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.573 179.701 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -23.92 44.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.783 179.706 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -58.12 -28.62 64.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.875 0.369 . . . . 0.0 110.503 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.418 ' CG2' ' HD2' ' B' ' 8' ' ' ARG . 79.6 t -72.89 -57.56 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.448 179.592 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.77 -26.3 33.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.652 179.441 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -53.94 32.2 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.54 179.642 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 46.9 mt -73.43 -31.11 63.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.733 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -60.45 -25.71 66.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.827 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.86 -36.72 14.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.98 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.08 -54.64 5.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.767 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' LEU . 38.8 t30 -51.81 -31.05 25.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.001 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -77.28 -41.82 39.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -56.91 -26.2 58.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.316 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.4 mt -95.7 -47.2 6.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -48.81 -27.77 3.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.332 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -93.4 -29.35 15.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -83.03 -25.91 31.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.028 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.03 -32.08 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.61 -34.18 72.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.003 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -80.18 -38.95 30.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.2 mt -60.17 -66.86 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.993 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.465 ' HG2' ' N ' ' B' ' 4' ' ' ALA . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.082 0 CA-C-O 120.646 0.26 . . . . 0.0 111.599 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.465 ' N ' ' HG2' ' B' ' 3' ' ' GLN . . . -63.49 -25.55 68.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.749 0.309 . . . . 0.0 111.428 -179.816 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.577 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 12.1 mt -110.87 -48.4 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.731 0.777 . . . . 0.0 109.643 179.254 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -45.12 -41.85 8.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.442 -1.254 . . . . 0.0 110.997 179.142 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' B' ' 3' ' ' GLN . 10.8 mtpt -71.7 -38.83 70.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.577 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -70.34 -26.89 63.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.314 -179.694 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.412 ' N ' ' HG3' ' B' ' 8' ' ' ARG . 89.4 t -67.6 -50.65 59.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.776 0.322 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.445 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 1.2 pt20 -50.34 -29.01 8.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.013 -179.881 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.53 -18.98 63.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.578 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.443 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -92.41 -41.43 10.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.884 0.373 . . . . 0.0 110.932 -179.912 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.464 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -85.5 -25.93 26.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.719 -179.424 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -54.09 -53.48 52.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.964 0.411 . . . . 0.0 110.958 179.796 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 2.9 tpt85 -80.41 -45.29 17.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.589 179.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.416 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 49.7 t-20 -53.59 -51.02 64.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.021 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -53.56 -29.02 35.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.669 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.33 -44.81 24.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.019 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.417 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 0.7 OUTLIER -63.76 -56.39 15.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 179.694 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -42.8 -28.67 0.26 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.663 179.733 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -86.72 -39.66 15.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.76 -179.568 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.434 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.1 OUTLIER -90.29 -20.8 22.52 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.047 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' B' ' 19' ' ' LEU . 73.4 t -42.04 -43.31 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 120.764 0.316 . . . . 0.0 111.378 -179.419 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.413 ' HA ' ' HD3' ' B' ' 27' ' ' ARG . 28.7 pt20 -74.17 -34.17 63.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.696 179.662 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.43 -30.25 71.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.953 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 36.1 mt -72.38 -63.49 1.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.798 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.413 ' HD3' ' HA ' ' B' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.449 -179.883 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.839 0.352 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.54 -37.97 82.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -87.85 -27.96 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -59.36 -25.35 64.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.125 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.7 t -74.91 -59.06 3.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.835 0.35 . . . . 0.0 110.49 179.534 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.59 -26.28 21.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.685 179.397 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -65.53 -50.95 63.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.565 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 32.5 mt -78.51 -30.98 47.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.729 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -59.85 -27.03 66.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.731 179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.92 -37.34 14.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -80.36 -54.82 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.681 179.777 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' LEU . 43.7 t-20 -52.46 -31.76 36.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.992 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -73.79 -42.46 60.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -24.85 53.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.419 -179.622 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.4 mt -97.79 -48.76 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.067 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -49.21 -28.51 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.206 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.26 -30.37 20.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.1 -179.906 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -83.27 -37.52 23.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.9 t -64.6 -39.59 86.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.071 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.63 -27.15 64.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.231 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -97.3 -40.37 8.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.7 mt -59.41 -68.75 0.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.986 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.511 ' HA ' ' HE3' ' B' ' 7' ' ' LYS . 14.7 pt20 . . . . . 0 N--CA 1.46 0.073 0 CA-C-O 120.836 0.351 . . . . 0.0 111.423 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.87 -25.31 61.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.263 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.432 ' CD2' ' HD3' ' B' ' 8' ' ' ARG . 2.9 mt -111.42 -48.84 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.677 0.751 . . . . 0.0 109.536 179.589 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.72 -32.09 0.94 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.255 179.185 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.511 ' HE3' ' HA ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -90.11 -31.32 17.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.334 -179.693 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.432 ' HD3' ' CD2' ' B' ' 5' ' ' LEU . 0.1 OUTLIER -73.3 -16.29 61.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.256 -179.715 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 98.7 t -74.64 -51.97 20.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.867 0.365 . . . . 0.0 110.474 179.313 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.409 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 0.2 OUTLIER -49.63 -29.77 7.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.093 -179.779 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.71 -20.55 65.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.516 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.428 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -91.05 -44.79 9.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.95 0.405 . . . . 0.0 110.812 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -80.71 -24.68 38.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.53 -179.55 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -54.06 -53.15 57.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.845 0.355 . . . . 0.0 110.953 179.853 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -82.79 -41.34 19.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.595 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.417 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 49.0 t30 -55.05 -49.2 72.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -51.55 -32.47 28.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.728 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.38 -44.67 35.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.05 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.412 ' HA ' ' HG3' ' B' ' 22' ' ' LYS . 0.8 OUTLIER -62.47 -56.8 14.66 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.698 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.73 -28.86 0.16 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.695 179.857 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -85.19 -41.23 15.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.692 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.412 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.28 -32.36 16.56 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.105 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 86.0 t -38.93 -58.0 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 120.715 0.293 . . . . 0.0 111.722 -179.338 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.419 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 2.5 pt20 -61.65 -34.63 76.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.96 -43.14 93.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.093 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.23 -60.83 3.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.419 ' CD ' ' HA ' ' B' ' 24' ' ' GLN . 2.2 ptt180 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.2 mt . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.768 0.318 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -76.98 -60.74 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.651 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -60.6 -29.85 69.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.421 ' HG2' ' CG1' ' B' ' 9' ' ' VAL . 3.9 tt0 -55.63 -27.27 48.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.413 ' HA ' ' CD1' ' B' ' 12' ' ' LEU . 75.7 t -71.31 -56.65 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.425 179.537 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.65 -27.31 62.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.043 0.449 . . . . 0.0 110.404 179.33 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -50.27 52.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.684 179.65 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 16' ' ' ASN . 21.5 mt -78.69 -34.71 45.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.882 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -59.97 -27.53 66.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.889 0.376 . . . . 0.0 110.563 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.04 -36.11 15.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.818 179.541 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -82.38 -57.02 3.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.728 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 12' ' ' LEU . 45.0 t30 -50.97 -35.29 32.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 179.661 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.401 ' CE1' ' OE1' ' A' ' 21' ' ' GLN . 35.4 t80 -74.9 -43.91 51.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.047 -179.89 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -42.52 85.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 -179.765 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.8 mt -75.21 -50.03 17.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.066 -179.776 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -46.54 -28.85 1.55 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.897 0.38 . . . . 0.0 111.256 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.401 ' OE1' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -83.88 -34.86 24.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.975 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -81.76 -39.36 24.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.761 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.3 t -62.18 -36.96 77.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.03 -25.67 63.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.113 179.818 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -101.88 -30.02 11.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 mt -63.53 -47.14 82.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.65 0.262 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.63 -28.91 68.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.783 0.325 . . . . 0.0 111.463 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 9.4 mt -110.96 -42.7 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.561 0.696 . . . . 0.0 109.831 179.491 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.05 -30.11 2.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.176 179.54 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.53 -23.91 31.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.354 -179.784 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.412 ' HD2' ' CG2' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -83.13 -26.13 31.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.227 -179.824 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.421 ' CG1' ' HG2' ' A' ' 8' ' ' GLU . 64.2 t -65.95 -37.27 79.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -21.09 39.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.143 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.52 4.92 25.93 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.843 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.413 ' CD1' ' HA ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -116.75 -50.91 2.59 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.87 0.366 . . . . 0.0 110.745 179.924 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -19.97 56.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.423 -179.659 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.52 -56.68 18.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 111.158 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -80.88 -38.93 27.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -55.54 -48.13 75.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.05 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -51.12 -30.71 17.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.092 -179.826 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.02 -50.04 12.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.434 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 0.8 OUTLIER -64.87 -52.65 55.45 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.589 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.41 ' HA ' HG22 ' B' ' 23' ' ' VAL . 0.2 OUTLIER -45.56 -28.83 1.03 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.37 179.718 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -40.59 15.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.676 -179.513 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.432 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.4 -4.02 57.32 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.779 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' B' ' 19' ' ' LEU . 21.7 t -45.09 -61.47 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 120.835 0.35 . . . . 0.0 111.261 -179.507 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.407 ' HA ' ' CG ' ' B' ' 27' ' ' ARG . 65.9 mt-30 -61.81 -44.81 96.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.78 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.33 -30.61 12.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.26 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 60.1 mt -78.77 -60.85 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.407 ' CG ' ' HA ' ' B' ' 24' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.305 -179.742 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.598 HD12 ' CB ' ' B' ' 6' ' ' LYS . 15.7 mt . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.793 0.33 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.0 -32.04 3.64 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.452 0.644 . . . . 0.0 110.15 179.797 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -77.18 -33.61 56.42 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.782 -179.899 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 5' ' ' LEU . 2.4 tt0 -67.04 -22.51 65.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.882 178.187 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.7 t -81.62 -49.04 18.22 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.723 179.154 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.3 -24.4 43.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.998 178.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -56.23 -61.94 2.05 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.21 179.373 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' ASN . 13.4 mt -70.77 -52.13 22.63 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 120.471 -0.492 . . . . 0.0 109.961 178.875 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 12' ' ' LEU . 71.4 mt-10 -34.38 -35.56 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.335 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -64.58 -55.91 17.35 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.417 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' LEU . 2.7 pt-20 -79.04 -43.86 23.39 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.252 178.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.56 ' OD1' ' CB ' ' B' ' 16' ' ' ASN . 0.8 OUTLIER -50.66 -27.78 7.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.96 179.146 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -82.79 -22.69 34.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.696 179.604 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.59 0.18 24.07 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.483 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.486 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 31.5 mt -124.69 -58.95 1.47 Allowed 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.0 109.997 179.536 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -28.4 32.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.084 179.534 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.15 -32.48 10.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.814 179.809 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -27.64 53.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.641 179.704 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 19' ' ' LEU . 45.8 t -62.55 -44.04 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.172 179.438 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.12 -24.3 25.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.441 179.903 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -104.0 -32.14 9.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.195 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.4 mt -55.17 -54.73 39.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.024 0.44 . . . . 0.0 111.475 -179.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.64 -178.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.552 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 5.1 mt-30 . . . . . 0 N--CA 1.47 0.559 0 CA-C-O 121.421 0.629 . . . . 0.0 111.845 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.66 -48.14 69.7 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 122.482 1.134 . . . . 0.0 108.128 177.6 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.441 ' HB2' HD11 ' A' ' 5' ' ' LEU . 2.7 mt -127.14 -4.84 6.17 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 112.843 -1.98 . . . . 0.0 108.821 177.442 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.598 ' CB ' HD12 ' A' ' 5' ' ' LEU . 7.4 ttpp -84.38 -17.14 40.34 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.152 -179.765 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.468 ' HB3' ' HB3' ' B' ' 3' ' ' GLN . 15.8 ptmt -90.1 -17.42 27.75 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.965 177.667 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -90.17 -33.73 16.11 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.358 -179.013 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.419 ' N ' ' HG3' ' B' ' 8' ' ' ARG . 94.9 t -46.39 -46.67 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 120.691 0.281 . . . . 0.0 111.147 -179.523 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.468 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -50.5 -31.9 16.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.074 0.464 . . . . 0.0 110.058 179.494 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.16 -19.91 56.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.31 179.539 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.517 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 0.3 OUTLIER -95.88 -53.48 3.67 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.865 0.364 . . . . 0.0 110.371 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.493 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.35 -44.72 28.43 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -178.78 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -53.95 -38.06 64.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.683 0.277 . . . . 0.0 111.569 -179.319 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 12.8 tpp85 -90.11 -34.31 15.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.553 -179.747 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.56 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 40.9 t30 -74.22 -35.98 63.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.71 0.29 . . . . 0.0 111.352 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -48.29 -47.19 36.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.059 0.456 . . . . 0.0 110.583 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.38 -42.25 98.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.474 -179.65 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.731 ' HA ' ' HG2' ' B' ' 22' ' ' LYS . 1.0 OUTLIER -60.81 -47.65 85.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.965 0.412 . . . . 0.0 110.247 -179.869 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.411 ' HA ' HG22 ' B' ' 23' ' ' VAL . 17.2 tttt -45.42 -28.5 0.89 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.126 179.626 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.55 -34.22 23.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.486 -179.642 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.731 ' HG2' ' HA ' ' B' ' 19' ' ' LEU . 14.9 ptmt -90.05 -9.52 48.24 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.249 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.444 ' HA ' HD13 ' B' ' 26' ' ' LEU . 61.9 t -40.65 -55.05 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 120.68 0.276 . . . . 0.0 111.493 -179.162 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.422 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 7.8 mt-30 -69.34 -31.5 69.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.629 179.727 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.98 -21.93 65.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' B' ' 23' ' ' VAL . 30.8 mt -78.04 -60.05 2.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.422 ' CD ' ' HA ' ' B' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.328 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.772 0.32 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -73.76 -56.55 4.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.002 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -62.18 -29.21 70.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -58.51 -25.45 62.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.3 t -74.72 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.77 179.796 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.28 -26.11 11.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.944 179.728 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -53.51 33.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.694 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 16' ' ' ASN . 32.2 mt -77.52 -31.7 53.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.962 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.7 -25.1 64.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.99 -36.64 14.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.184 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -85.11 -53.67 5.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 12' ' ' LEU . 40.4 t30 -49.39 -32.84 12.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.417 ' CE1' ' HG3' ' A' ' 21' ' ' GLN . 31.3 t80 -76.91 -36.68 56.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -59.51 -29.9 68.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.278 -179.705 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.1 mt -92.3 -53.97 4.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.188 -179.81 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -47.66 -28.13 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.391 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.417 ' HG3' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -91.74 -25.22 19.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.195 -179.846 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -89.54 -34.98 16.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.799 0.333 . . . . 0.0 111.001 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.49 -28.99 46.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 -179.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.95 -28.03 65.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -99.23 -30.18 12.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.019 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 72.5 mt -56.64 -54.89 40.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.03 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.939 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.839 0.352 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.6 -27.53 27.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.788 -179.353 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.603 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 12.2 mt -110.35 -46.07 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 0.0 110.05 179.499 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -47.66 -39.14 16.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.259 179.471 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -81.04 -42.41 21.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.369 -179.492 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.603 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -53.76 -25.87 20.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.367 -179.482 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 57.4 t -60.7 -42.98 94.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.413 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -55.83 -22.95 27.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.129 -179.861 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.97 1.31 31.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.848 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.25 -51.14 2.86 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.898 0.38 . . . . 0.0 110.819 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.437 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -76.92 -26.17 53.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.586 -179.496 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -52.55 -51.06 61.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.822 0.344 . . . . 0.0 111.131 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.14 -47.74 12.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.65 179.686 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.423 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 27.4 t30 -51.22 -48.12 62.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -54.2 -34.12 59.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 110.642 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.62 -49.47 21.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.429 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 0.7 OUTLIER -61.9 -54.88 35.9 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.496 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.406 ' CA ' HG22 ' B' ' 23' ' ' VAL . 0.6 OUTLIER -43.27 -29.54 0.41 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.465 179.681 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -86.52 -40.56 15.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.677 -179.585 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.401 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -90.45 -3.17 57.85 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.904 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' B' ' 19' ' ' LEU . 19.9 t -46.67 -65.06 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 111.209 -179.564 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -61.56 -41.15 96.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.74 -29.0 37.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 39.1 mt -77.49 -63.72 1.31 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.19 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.2 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.864 0.364 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -56.98 -50.09 73.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -69.51 -24.73 63.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.969 -179.886 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.37 -28.54 63.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.596 179.477 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.6 t -77.64 -55.76 9.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.584 179.551 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.83 -28.03 46.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.758 179.604 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -59.71 -55.27 36.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.671 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.3 mt -75.66 -38.22 58.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 179.83 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -51.51 -26.09 7.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.172 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.48 -36.01 22.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.024 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.31 -55.62 3.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.801 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -49.69 -37.11 27.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.046 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -69.97 -44.23 69.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.35 -25.63 59.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.363 -179.798 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.6 mt -99.07 -47.96 5.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.028 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -51.09 -26.76 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.146 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.47 -28.62 20.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -85.88 -38.71 17.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.796 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.4 t -62.19 -39.53 84.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.722 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.12 -31.49 68.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.713 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -82.36 -39.29 22.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.695 179.759 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.8 mt -56.43 -73.52 0.06 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.807 179.822 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.86 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.449 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 4.0 pt20 . . . . . 0 C--O 1.229 0.016 0 CA-C-O 120.806 0.336 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.86 -30.14 44.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.593 -179.595 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.445 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 8.0 mt -110.71 -42.8 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.643 0.735 . . . . 0.0 109.945 179.393 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.449 ' HB3' ' HA ' ' B' ' 3' ' ' GLN . 5.7 ttpp -51.56 -38.26 53.53 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.332 179.703 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.59 -26.06 35.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.364 -179.593 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.445 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -68.55 -24.72 64.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.774 0.321 . . . . 0.0 111.046 -179.921 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 48.1 t -60.01 -43.66 93.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.972 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 1.6 pp0? -53.09 -25.07 11.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 -179.904 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.81 -1.89 30.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.811 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.12 -38.66 4.4 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.699 0.285 . . . . 0.0 111.055 -179.807 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.03 -25.18 20.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.728 -179.376 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -58.17 -55.84 29.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.851 0.358 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.402 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 4.5 tpp180 -76.75 -49.31 16.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.611 179.845 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -50.95 -42.84 60.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.183 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -54.47 -38.29 66.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.714 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.54 -44.92 56.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.961 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.481 ' HA ' ' HG3' ' B' ' 22' ' ' LYS . 0.8 OUTLIER -61.9 -57.47 11.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.036 179.701 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -42.27 -30.92 0.34 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.703 179.826 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -87.87 -40.31 14.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.742 -179.417 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.481 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -90.47 -0.38 57.64 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -178.885 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' B' ' 19' ' ' LEU . 35.7 t -48.86 -64.08 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.853 0.358 . . . . 0.0 111.001 -179.624 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.92 -34.88 78.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.749 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.84 -31.09 68.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 75.2 mt -72.26 -62.54 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.746 179.81 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.813 0.34 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -57.29 -45.37 84.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.135 -179.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -73.99 -31.06 62.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.043 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.53 -24.24 63.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.074 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.408 ' CG2' ' HD2' ' B' ' 8' ' ' ARG . 79.1 t -78.51 -59.53 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.615 179.742 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.94 -25.65 12.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.956 0.407 . . . . 0.0 110.958 179.583 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -68.58 -41.05 80.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.818 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 16.0 mt -92.02 -38.21 12.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.244 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -54.47 -24.54 20.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.125 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.03 -36.97 14.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -84.67 -54.55 4.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.961 -179.907 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' LEU . 35.1 t30 -48.42 -33.07 8.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -81.41 -43.31 19.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.965 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -28.99 65.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.247 -179.671 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.9 mt -89.3 -45.49 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.176 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.0 -28.26 2.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.308 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -91.17 -30.33 16.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -83.46 -22.88 32.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.083 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.4 t -86.84 -30.7 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.113 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.96 -29.48 68.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.334 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -89.81 -38.86 13.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.166 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.5 mt -57.42 -67.12 0.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.077 -179.849 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.986 -179.979 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 . . . . . 0 N--CA 1.461 0.105 0 CA-C-O 120.712 0.292 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.67 -28.11 66.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.464 -179.682 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.446 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 9.6 mt -110.78 -44.94 3.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.708 0.766 . . . . 0.0 109.799 179.455 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -45.74 -32.52 2.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.442 -1.254 . . . . 0.0 111.491 179.524 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.19 -18.35 25.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.86 -179.242 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.446 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -81.19 -25.6 36.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.596 0.236 . . . . 0.0 111.479 -179.457 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.412 ' HA ' ' CD1' ' B' ' 12' ' ' LEU . 60.9 t -64.99 -39.41 85.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.829 0.347 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -18.95 41.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.186 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.21 12.06 16.99 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -179.67 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.412 ' CD1' ' HA ' ' B' ' 9' ' ' VAL . 0.6 OUTLIER -121.64 -51.12 2.06 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.006 0.431 . . . . 0.0 110.701 179.709 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -78.74 -22.35 46.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.49 -179.702 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.33 -53.38 58.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.327 . . . . 0.0 111.3 -179.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -86.78 -34.2 19.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.028 -179.883 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.407 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 29.0 t30 -62.46 -44.6 96.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 -179.814 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -54.77 -29.36 53.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.127 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.7 -50.52 15.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.048 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.442 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 0.9 OUTLIER -62.02 -55.82 25.3 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.625 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.419 ' CA ' HG22 ' B' ' 23' ' ' VAL . 0.1 OUTLIER -42.64 -29.58 0.3 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.618 179.831 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -85.59 -40.11 16.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.718 -179.396 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.428 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.37 -8.96 49.37 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -178.721 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' B' ' 19' ' ' LEU . 13.4 t -43.63 -54.86 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 120.837 0.351 . . . . 0.0 111.372 -179.281 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -67.68 -34.71 77.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.79 -29.23 70.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.254 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 48.7 mt -76.78 -59.59 2.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.998 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.46 23.09 3.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.839 0.352 . . . . 0.0 111.535 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.789 ' HA ' ' H ' ' B' ' 1' ' ' GLU . 7.1 t -64.43 -38.96 83.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.961 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.13 -5.39 59.1 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.544 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -40.88 11.92 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.533 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.847 ' CD1' ' HA ' ' B' ' 1' ' ' GLU . 2.9 mt -58.7 -44.88 90.45 Favored 'General case' 0 CA--C 1.519 -0.227 0 C-N-CA 120.325 -0.55 . . . . 0.0 109.92 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -50.96 -27.38 7.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.534 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.78 -24.79 14.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.51 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -68.4 -22.67 64.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.0 t -81.03 -54.61 9.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.259 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.76 -23.94 46.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.999 0.428 . . . . 0.0 110.495 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -67.87 -55.31 13.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.603 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.476 HD12 ' N ' ' B' ' 13' ' ' LYS . 28.9 mt -76.47 -46.3 27.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.837 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -48.26 -28.16 2.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.849 0.357 . . . . 0.0 110.947 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.64 -32.86 28.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.669 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -88.04 -57.1 3.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.537 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 12' ' ' LEU . 18.7 t-20 -47.24 -34.7 6.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.895 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -80.18 -34.52 37.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -29.12 68.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.206 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.8 mt -87.22 -52.0 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.219 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.29 -28.45 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.468 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -85.12 -29.43 24.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.185 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -89.05 -34.07 16.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.875 0.369 . . . . 0.0 111.026 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.6 t -71.64 -29.78 35.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.026 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.66 -19.12 63.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.422 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -110.67 -37.1 5.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.345 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.2 mt -55.91 -62.66 1.55 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.744 0.307 . . . . 0.0 111.211 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -90.0 59.35 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.985 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -75.95 -43.41 44.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -89.97 -36.2 15.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.58 58.47 5.02 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.45 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 O-C-N 122.768 -0.254 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . 0.535 ' O ' HD13 ' A' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.908 ' O ' ' HB2' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -38.63 -53.36 1.62 Allowed 'General case' 0 CA--C 1.466 -2.252 0 CA-C-O 122.192 0.996 . . . . 0.0 109.76 . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 1.22 ' O ' ' N ' ' B' ' 4' ' ' ALA . 0.1 OUTLIER -26.46 118.82 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.412 -2.365 0 CA-C-N 113.549 -1.659 . . . . 0.0 110.112 -178.348 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.412 ' O ' ' HD2' ' B' ' 7' ' ' LYS . 0.0 OUTLIER -27.82 28.62 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.636 1.175 . . . . 0.0 112.4 -178.153 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 1.22 ' N ' ' O ' ' B' ' 2' ' ' VAL . . . -91.17 -43.56 9.79 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 113.708 -1.587 . . . . 0.0 108.569 177.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.468 ' HB3' HD11 ' A' ' 5' ' ' LEU . 2.2 mt -118.76 -36.63 3.42 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 112.777 -2.01 . . . . 0.0 108.508 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.908 ' HB2' ' O ' ' B' ' 1' ' ' GLU . 7.3 ttpp -55.45 -24.25 29.84 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.981 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.473 ' HE3' ' HA ' ' B' ' 4' ' ' ALA . 0.0 OUTLIER -85.8 -20.18 29.58 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.778 179.159 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' B' ' 9' ' ' VAL . 0.0 OUTLIER -90.23 -32.64 16.49 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.485 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.475 ' N ' ' HG3' ' B' ' 8' ' ' ARG . 77.3 t -59.76 -35.13 58.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.771 0.32 . . . . 0.0 111.075 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -62.7 -15.17 51.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.324 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.07 -12.26 38.97 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.92 -51.05 4.4 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.757 0.313 . . . . 0.0 111.259 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.476 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.4 -19.29 56.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.797 -178.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.47 -58.26 9.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.357 . . . . 0.0 111.31 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.73 -34.65 24.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -58.49 -43.25 88.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.252 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -57.92 -32.31 67.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.257 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.49 -53.49 11.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.288 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.426 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 0.8 OUTLIER -59.35 -54.25 48.91 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.224 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.76 -28.63 0.25 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.524 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -86.8 -39.55 15.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.84 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.35 -20.01 23.35 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' B' ' 19' ' ' LEU . 96.7 t -42.21 -62.41 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 120.74 0.305 . . . . 0.0 111.612 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -29.96 69.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.01 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.05 -32.56 73.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.176 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 75.4 mt -72.67 -55.67 6.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -43.4 98.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.029 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -67.88 -66.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -86.47 132.82 33.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -166.73 -74.41 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 O-C-N 122.745 -0.268 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.402 ' CB ' ' CB ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -90.08 135.56 33.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 110.829 . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.9 t -54.63 -65.68 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.02 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.71 69.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.943 0.401 . . . . 0.0 110.675 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.402 ' CB ' ' CB ' ' A' ' 1' ' ' GLU . 1.7 tp-100 -59.41 -28.36 66.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.676 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 mt -93.87 -31.71 14.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -67.75 -43.03 80.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.024 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -28.22 65.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -59.47 -25.56 64.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.858 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.1 t -77.07 -61.29 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.467 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.45 -27.73 4.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.958 0.408 . . . . 0.0 110.797 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -66.66 -39.79 88.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.704 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 12.8 mt -92.85 -41.46 10.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -52.48 -24.98 8.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.237 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.2 -35.47 17.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.207 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -87.39 -54.78 4.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.051 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.424 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 48.1 t30 -50.35 -27.91 7.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.353 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -89.1 -48.09 7.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -59.29 -29.64 67.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.4 mt -77.37 -52.93 8.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.939 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -47.44 -28.7 2.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.842 0.353 . . . . 0.0 111.34 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.08 -27.98 15.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.099 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -83.38 -31.98 26.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.985 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.401 ' CG1' ' CD1' ' B' ' 26' ' ' LEU . 38.5 t -64.43 -28.88 45.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.055 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.85 -25.38 63.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.233 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.36 -27.76 13.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.122 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.4 mt -57.52 -60.78 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 111.131 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.05 57.42 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.029 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -87.0 -41.53 13.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -31.94 72.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.04 30.49 9.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 O-C-N 122.806 -0.232 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -90.18 -165.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' B' ' 6' ' ' LYS . 97.1 t -44.38 -87.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.311 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.442 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 4.2 pm0 -57.48 -36.49 71.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.798 0.332 . . . . 0.0 111.283 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.11 -29.93 58.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.51 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.519 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 9.5 mt -111.1 -45.31 3.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.576 0.703 . . . . 0.0 109.854 179.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.442 ' HB3' ' HA ' ' B' ' 3' ' ' GLN . 10.6 ttpp -46.71 -33.8 4.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.598 -1.183 . . . . 0.0 111.28 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.408 ' HD3' ' O ' ' B' ' 3' ' ' GLN . 8.3 mtpt -84.62 -43.42 14.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.296 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.519 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -53.55 -24.44 13.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.595 -179.582 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.22 -40.66 88.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.187 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -20.63 49.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.232 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.67 8.69 21.39 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.46 -50.09 2.23 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.885 0.374 . . . . 0.0 110.687 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.448 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.53 -20.54 54.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.507 -179.658 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.54 -51.69 67.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.37 . . . . 0.0 111.381 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.97 -34.04 16.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.077 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.424 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 31.0 t-20 -62.94 -40.47 97.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.02 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -52.72 -33.08 46.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.797 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.6 -46.53 31.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' B' ' 23' ' ' VAL . 0.7 OUTLIER -65.93 -53.71 35.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.158 179.751 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.421 ' HA ' HG22 ' B' ' 23' ' ' VAL . 2.0 tttt -44.88 -28.68 0.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.363 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -83.32 -42.04 17.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.516 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.409 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.15 -14.08 34.34 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.349 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' B' ' 20' ' ' LYS . 43.5 t -48.01 -50.66 10.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.681 0.277 . . . . 0.0 111.06 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -70.63 -33.13 70.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.557 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.29 -29.6 70.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.791 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.401 ' CD1' ' CG1' ' A' ' 23' ' ' VAL . 83.8 mt -70.79 -62.07 1.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.768 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.48 -32.89 58.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.24 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.22 -31.36 69.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 100.65 8.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.84 103.81 0.2 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.514 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 O-C-N 122.792 -0.24 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -78.67 126.48 30.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.5 t -73.35 -58.41 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.277 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.85 -45.16 82.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.189 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -47.48 -29.37 2.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.058 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.4 mt -85.53 -37.02 20.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.587 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.45 -27.98 68.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.862 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.45 -32.35 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -61.25 -22.92 65.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.011 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.1 t -80.22 -57.29 5.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.632 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.34 -25.38 23.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -50.72 61.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.659 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 41.5 mt -80.67 -32.36 36.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -59.89 -24.72 64.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.93 -38.55 13.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.144 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.55 -54.23 5.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.426 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 44.0 t30 -50.67 -30.7 14.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -86.13 -43.19 13.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -57.24 -42.39 81.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.4 mt -71.47 -48.34 49.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -51.88 -26.02 9.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.242 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -96.45 -24.85 15.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.198 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -89.94 -26.84 20.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.744 0.306 . . . . 0.0 111.149 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.3 t -76.27 -29.18 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.122 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.85 -24.1 55.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.296 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -96.88 -37.5 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.142 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.7 mt -58.68 -64.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.03 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.92 57.54 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -66.85 -30.44 70.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.59 -32.93 70.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -102.71 71.15 0.31 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 O-C-N 122.752 -0.264 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -63.81 -65.94 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.951 0.405 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.725 ' O ' ' HB2' ' B' ' 6' ' ' LYS . 13.7 t -87.56 -14.9 9.74 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.48 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -92.62 -69.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.065 0.46 . . . . 0.0 112.12 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.15 -17.18 1.46 Allowed 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.613 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 2.8 mt -102.83 -29.59 11.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.826 0.822 . . . . 0.0 109.817 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.725 ' HB2' ' O ' ' B' ' 2' ' ' VAL . 1.3 tptm -70.75 -65.85 0.68 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.163 -1.38 . . . . 0.0 111.551 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -18.35 38.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.974 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.613 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -76.43 -27.1 56.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.674 0.273 . . . . 0.0 111.54 -179.531 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.63 -52.19 64.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.47 -28.72 21.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.56 -19.78 62.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.513 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.432 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -90.48 -46.56 8.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.987 0.422 . . . . 0.0 110.864 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -80.19 -17.34 52.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.663 -179.587 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.37 -54.93 41.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.099 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.31 -36.4 29.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.426 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 28.0 t30 -62.74 -39.76 95.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -53.17 -36.56 61.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.378 . . . . 0.0 110.979 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.21 -45.88 62.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.46 -56.08 14.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.075 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.29 -29.17 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.486 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -82.13 -41.17 20.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.645 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -34.33 15.87 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 72.8 t -34.37 -56.66 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.78 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -68.13 -42.67 79.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.557 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.12 -32.37 61.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 80.6 mt -72.87 -63.11 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.783 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -31.8 47.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.423 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -90.02 -75.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.94 139.75 45.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.59 -38.79 1.86 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 O-C-N 122.735 -0.274 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.01 102.3 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.4 t -90.16 -50.29 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.218 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.0 -35.31 69.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.199 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -56.91 -30.33 63.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.987 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.0 mt -90.91 -39.36 12.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.814 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.72 -30.34 68.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -90.65 -27.87 18.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.989 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -59.88 -25.23 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.095 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.408 ' CG2' ' CG2' ' B' ' 9' ' ' VAL . 86.4 t -74.64 -60.67 2.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.614 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.23 -25.27 13.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.8 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -72.48 -43.07 64.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.838 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 20.1 mt -86.54 -45.49 11.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.121 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -50.28 -26.47 4.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.269 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.82 -35.09 19.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.7 -55.93 3.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 12' ' ' LEU . 36.3 t30 -48.35 -44.15 34.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.26 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -66.49 -38.42 87.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -70.72 -28.05 64.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.341 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.8 mt -90.99 -47.04 7.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.206 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.42 -25.67 10.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.105 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.14 -26.09 15.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.071 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -89.14 -21.08 23.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.099 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.6 t -89.97 -30.58 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.948 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.72 -28.81 57.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.04 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -87.28 -39.94 14.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.58 -62.39 1.91 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.01 58.98 4.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -61.12 -50.04 74.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -73.65 -66.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 153.98 -81.18 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.535 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.391 0 O-C-N 122.727 -0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . 0.406 ' CH3' ' CB ' ' B' ' 4' ' ' ALA . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -90.34 -68.95 0.75 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.855 0.36 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.799 ' O ' ' HB2' ' B' ' 6' ' ' LYS . 17.1 t -86.87 -22.76 6.91 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.827 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.649 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -92.27 -63.94 1.17 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.406 ' CB ' ' CH3' ' B' ' 0' ' ' ACE . . . -54.67 -12.45 0.76 Allowed 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -178.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.585 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 2.8 mt -110.42 -41.19 4.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.843 0.83 . . . . 0.0 109.603 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.799 ' HB2' ' O ' ' B' ' 2' ' ' VAL . 9.8 ttpp -55.7 -46.03 77.75 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.921 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -79.71 -32.12 41.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.527 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.585 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -69.25 -29.82 67.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.347 -179.449 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.408 ' CG2' ' CG2' ' A' ' 9' ' ' VAL . 94.6 t -66.81 -35.66 75.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.389 . . . . 0.0 110.533 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.406 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 36.7 mt-30 -59.15 -19.23 43.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.193 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.2 10.28 17.42 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.407 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -119.96 -47.09 2.41 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.958 0.409 . . . . 0.0 110.824 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.457 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -83.76 -28.76 27.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.55 -179.4 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -51.26 -49.19 61.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 111.366 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -88.48 -45.08 10.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -56.22 -38.02 70.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.228 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -53.7 -42.38 67.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.027 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.78 -47.72 65.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.973 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.446 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 1.0 OUTLIER -62.49 -58.66 6.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.456 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.403 ' CA ' HG22 ' B' ' 23' ' ' VAL . 11.5 tttm -40.6 -31.7 0.17 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.667 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -84.0 -43.47 15.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.064 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.43 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.52 -3.63 57.47 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -178.479 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' B' ' 19' ' ' LEU . 20.1 t -45.79 -63.74 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 117.984 0.356 . . . . 0.0 111.289 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -60.64 -34.57 74.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.69 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.55 -30.13 69.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.052 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 85.6 mt -79.47 -61.35 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -42.66 73.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -59.36 -52.77 64.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.985 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.05 86.94 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.37 -127.19 4.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 O-C-N 122.777 -0.249 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -90.44 24.5 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.655 0.265 . . . . 0.0 111.429 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 91.2 t -42.68 -54.67 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.629 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.67 -32.13 62.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.273 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -72.98 -8.19 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.387 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.415 ' CD2' ' CD ' ' B' ' 6' ' ' LYS . 8.7 mt -100.01 -27.95 13.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.697 0.284 . . . . 0.0 111.041 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -86.57 -57.47 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.144 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -56.7 -28.86 61.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.077 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -62.18 -23.31 66.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.939 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.405 ' HA ' ' CD1' ' B' ' 12' ' ' LEU . 79.2 t -73.79 -60.6 2.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.731 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.03 -25.44 21.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.73 -51.33 57.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.73 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 24.0 mt -77.18 -36.37 55.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.715 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -55.24 -24.24 26.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.33 -37.51 18.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.045 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -84.58 -54.62 4.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.749 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -54.29 -24.3 18.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -79.36 -53.64 6.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.293 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -58.15 -33.29 69.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.282 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.9 mt -75.33 -51.7 12.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.014 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -50.71 -26.55 5.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.36 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -94.61 -25.21 16.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.237 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -89.01 -29.79 19.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.811 0.338 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.3 t -78.38 -30.37 15.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.015 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.04 -22.07 65.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.369 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -105.29 -36.08 7.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.183 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.5 mt -57.1 -46.9 82.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.089 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.32 46.14 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.073 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -90.09 -42.47 11.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.82 -65.44 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.006 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.82 -141.19 37.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.538 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 O-C-N 122.739 -0.271 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.54 ' N ' ' HB1' ' B' ' 4' ' ' ALA . 0.1 OUTLIER -65.91 -172.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 111.403 . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' B' ' 6' ' ' LYS . 47.0 t -33.12 -88.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.163 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.498 ' O ' ' CG ' ' B' ' 7' ' ' LYS . 1.5 pm0 -57.73 -38.51 75.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.874 0.369 . . . . 0.0 111.411 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.54 ' HB1' ' N ' ' B' ' 1' ' ' GLU . . . -50.92 -28.82 10.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.852 0.358 . . . . 0.0 111.077 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.642 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 11.2 mt -115.23 -39.09 3.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.446 0.641 . . . . 0.0 110.403 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.469 ' HB3' ' HA ' ' B' ' 3' ' ' GLN . 0.4 OUTLIER -57.35 -31.94 66.24 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.268 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' B' ' 3' ' ' GLN . 0.8 OUTLIER -90.11 -43.66 10.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.664 -179.601 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.642 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -50.74 -26.67 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.268 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 73.5 t -62.22 -46.03 97.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.145 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.437 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -50.74 -30.22 13.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.236 -179.664 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.23 -13.13 61.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.612 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.411 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -99.3 -47.49 5.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.894 0.378 . . . . 0.0 110.927 -179.798 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.79 -23.57 42.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.713 -179.361 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -55.86 -61.77 2.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.857 0.361 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.45 -38.01 59.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -59.35 -42.06 90.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -53.09 -40.6 64.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.38 -45.33 76.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.071 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.15 -56.55 15.8 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -40.67 -30.22 0.11 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.604 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -82.73 -40.62 20.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.612 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.44 -31.65 16.73 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 88.6 t -40.35 -61.53 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-O 120.748 0.309 . . . . 0.0 111.627 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.401 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 2.4 pt20 -58.2 -28.99 65.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.68 -28.23 62.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.225 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 38.1 mt -78.54 -59.71 2.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.073 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.401 ' CD ' ' HA ' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -51.64 -54.86 23.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.485 -179.749 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -70.8 -75.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.338 . . . . 0.0 110.836 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.01 134.44 43.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.14 -30.62 8.74 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 O-C-N 122.745 -0.268 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -89.96 104.95 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.684 0.278 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.3 t -85.41 -49.64 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.87 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.78 -20.94 54.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.064 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.54 12.61 14.05 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.347 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 67.3 mt -124.03 -42.39 2.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.807 0.337 . . . . 0.0 110.633 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -60.83 -75.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.427 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -19.64 61.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.572 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -63.67 -27.69 69.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.684 179.394 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.442 HG22 ' CD ' ' B' ' 8' ' ' ARG . 1.1 t -69.92 -54.88 16.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.708 0.289 . . . . 0.0 110.381 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.32 -27.29 55.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.049 0.452 . . . . 0.0 110.12 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -63.9 -73.39 0.12 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.113 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.707 HD12 ' HB2' ' B' ' 13' ' ' LYS . 0.9 OUTLIER -34.18 -69.21 0.1 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.475 179.303 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -39.37 -35.37 0.26 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.77 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.59 -55.9 8.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.462 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.43 ' HG3' ' NZ ' ' B' ' 13' ' ' LYS . 0.4 OUTLIER -79.1 -50.19 11.43 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.478 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.572 ' N ' ' O ' ' A' ' 12' ' ' LEU . 60.0 t30 -46.53 -29.01 1.59 Allowed 'General case' 0 CA--C 1.528 0.102 0 CA-C-O 120.793 0.33 . . . . 0.0 111.118 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -90.17 -29.14 18.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.894 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -74.51 -41.04 61.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.247 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.3 mt -77.68 -53.32 7.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.157 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -48.19 -28.68 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 111.049 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.91 -30.41 31.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.791 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -88.72 -24.68 22.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.781 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.0 t -79.48 -31.61 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -33.04 71.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.84 -40.74 18.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.737 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.0 mt -58.58 -56.02 27.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.2 59.59 4.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.723 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -54.9 -31.93 60.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -24.44 63.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.013 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.17 -51.17 4.53 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 O-C-N 122.688 -0.301 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . 0.405 ' O ' ' CD1' ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.23 0.05 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.406 ' N ' ' HB2' ' B' ' 4' ' ' ALA . 0.8 OUTLIER -90.3 -160.8 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.714 0.293 . . . . 0.0 111.416 . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' B' ' 6' ' ' LYS . 46.1 t -38.58 -81.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.149 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -58.16 -38.72 77.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.488 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.406 ' HB2' ' N ' ' B' ' 1' ' ' GLU . . . -56.18 -27.23 53.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.723 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.415 HD21 HG22 ' A' ' 9' ' ' VAL . 3.0 mt -110.8 -48.35 3.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.569 0.7 . . . . 0.0 109.563 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' B' ' 2' ' ' VAL . 0.0 OUTLIER -43.7 -36.45 2.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.654 179.058 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -81.23 -37.64 28.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.473 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.442 ' CD ' HG22 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -67.82 -32.03 72.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.736 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.488 ' CG1' ' CD1' ' A' ' 12' ' ' LEU . 29.4 t -59.34 -37.23 68.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-O 121.105 0.479 . . . . 0.0 109.752 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.569 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 27.3 mm-40 -56.27 -58.67 6.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.495 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -41.13 -30.1 0.14 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.659 ' HB2' HD11 ' A' ' 12' ' ' LEU . 1.3 mt -95.19 -79.21 0.44 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.334 0.588 . . . . 0.0 109.528 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.712 ' HA ' ' HB3' ' B' ' 16' ' ' ASN . 13.4 tptt -55.23 -35.12 64.58 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -49.87 -32.02 13.46 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 119.059 -1.056 . . . . 0.0 109.939 -177.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.465 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 12.8 tpt85 -90.61 -28.88 18.14 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.193 178.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.712 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 18.6 t30 -73.26 -51.88 16.03 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.101 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -48.34 -28.58 3.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.187 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.59 -49.33 16.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.06 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' B' ' 15' ' ' ARG . 0.6 OUTLIER -61.95 -55.35 30.37 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.594 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.43 -29.19 0.26 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.59 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -86.4 -40.25 15.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.562 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.4 ' CG ' ' HA ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -90.59 -5.56 55.75 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.823 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' B' ' 19' ' ' LEU . 7.6 t -46.08 -60.88 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-O 120.805 0.336 . . . . 0.0 111.289 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.406 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 6.2 mt-30 -64.15 -38.75 92.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.12 -29.43 60.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.7 mt -77.35 -64.0 1.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.406 ' CD ' ' HA ' ' B' ' 24' ' ' GLN . 0.2 OUTLIER -52.73 -26.26 13.57 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.273 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -76.18 -53.7 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.837 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.33 131.01 34.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -174.16 124.41 1.03 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.524 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.405 0 O-C-N 122.755 -0.262 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.03 166.82 13.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.954 0.407 . . . . 0.0 110.882 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.1 t -90.12 -49.87 13.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.215 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.65 -33.56 66.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.268 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -68.02 -28.14 67.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.6 mt -87.54 -46.18 9.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.983 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.11 -56.59 19.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -59.55 -28.75 67.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.108 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -58.99 -25.61 63.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.983 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.429 HG22 ' CD2' ' B' ' 5' ' ' LEU . 58.8 t -81.19 -55.49 8.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.595 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.11 -25.68 23.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.553 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.46 -45.89 74.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.504 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 16' ' ' ASN . 22.1 mt -84.17 -42.86 15.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -48.47 -28.37 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.065 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.26 -37.53 17.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -80.22 -56.86 3.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.703 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 12' ' ' LEU . 42.8 t-20 -50.54 -45.23 56.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.009 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -65.08 -41.57 94.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.784 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -28.04 56.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.258 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.9 mt -98.39 -45.46 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -49.55 -27.92 4.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.185 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.0 -28.61 25.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.095 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.99 -30.82 19.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.853 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.3 t -75.08 -35.09 33.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.36 -23.63 25.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.406 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -109.9 -37.86 5.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.181 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.2 mt -59.62 -45.85 90.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.103 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.83 57.31 4.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 0.0 110.966 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -85.86 -66.49 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.42 88.47 4.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -148.6 -49.01 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.537 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 O-C-N 122.701 -0.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -86.69 -167.94 2.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.707 0.289 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.0 t -44.27 -90.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.414 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 34.3 mt-30 -55.43 -36.2 66.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.909 0.385 . . . . 0.0 111.05 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.02 -29.76 44.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.144 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.563 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 11.9 mt -113.46 -40.73 3.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.794 0.806 . . . . 0.0 109.875 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.414 ' HB3' ' HA ' ' B' ' 3' ' ' GLN . 8.5 ttpt -57.23 -35.55 69.82 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.413 -1.267 . . . . 0.0 111.33 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.41 ' HG2' ' CA ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -90.05 -16.94 28.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.613 -179.459 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.563 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.6 OUTLIER -88.43 -17.76 29.76 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.539 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 84.5 t -63.02 -48.44 87.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.804 0.335 . . . . 0.0 110.804 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 7.3 pt20 -49.52 -33.49 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.03 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.72 -15.22 61.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.608 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.48 -38.6 9.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.722 0.296 . . . . 0.0 111.139 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.423 ' N ' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -90.1 -36.35 14.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.886 -179.194 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -51.2 -41.44 60.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 111.102 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.12 -45.17 9.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.634 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -55.41 -45.73 76.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -52.03 -35.07 45.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.794 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.14 -42.55 55.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.084 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.18 -57.71 8.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -40.9 -30.21 0.12 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.681 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.0 -41.3 18.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.6 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.32 -20.71 22.58 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 96.1 t -45.94 -58.12 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.83 0.348 . . . . 0.0 111.331 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -30.04 67.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.35 -32.56 70.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 22.0 mt -72.97 -60.52 2.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.44 -36.35 61.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.253 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -60.9 -55.69 29.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.789 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -90.04 51.47 2.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 63.89 117.13 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.532 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 O-C-N 122.739 -0.271 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -89.91 161.39 15.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.094 0.473 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.7 t -47.73 -47.38 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.302 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -49.03 -27.84 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.51 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -66.76 -26.37 66.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.817 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.403 ' CD2' ' HD3' ' B' ' 6' ' ' LYS . 86.0 mt -105.12 -34.02 8.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -47.86 -29.56 3.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -82.11 -32.7 30.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.589 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -53.8 -28.67 36.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.038 0.447 . . . . 0.0 110.302 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.1 t -83.16 -46.51 18.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.792 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.56 -31.84 71.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.146 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -63.58 1.09 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.722 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.481 HD12 ' N ' ' B' ' 13' ' ' LYS . 70.9 mt -64.9 -42.27 94.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.879 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -44.02 -29.17 0.55 Allowed 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.914 0.388 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.21 -51.31 18.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.634 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 12' ' ' LEU . 3.4 pt-20 -74.47 -47.21 34.78 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.777 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.443 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 54.6 t-20 -57.41 -20.89 32.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.766 0.317 . . . . 0.0 110.578 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -90.16 -48.56 7.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.99 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 12.8 pt20 -50.62 -26.81 5.8 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.541 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.55 ' HA ' ' HG2' ' A' ' 22' ' ' GLU . 68.3 mt -85.08 -62.73 1.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.959 0.409 . . . . 0.0 110.104 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -30.36 1.83 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.473 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.78 -34.78 30.16 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.029 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.55 ' HG2' ' HA ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -83.57 -24.48 31.53 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.057 0.456 . . . . 0.0 110.168 179.305 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.401 HG12 ' CD1' ' B' ' 26' ' ' LEU . 57.8 t -63.85 -26.39 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.223 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.25 -21.95 61.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.366 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -108.02 -25.53 11.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.269 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.414 HD12 HG11 ' B' ' 23' ' ' VAL . 8.2 mt -52.86 -71.85 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.156 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -20.28 43.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.056 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -74.17 -69.27 0.46 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.83 0.347 . . . . 0.0 110.965 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.84 -67.83 0.81 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.62 -152.55 20.51 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 O-C-N 122.775 -0.25 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . 0.408 ' CH3' ' HB1' ' B' ' 4' ' ' ALA . . . . . . . . 0 C--O 1.231 0.129 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -90.29 -75.19 0.46 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.984 0.421 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.666 ' O ' ' HB2' ' B' ' 6' ' ' LYS . 23.2 t -68.03 -22.91 28.3 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.623 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.9 -67.88 0.83 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -179.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.408 ' HB1' ' CH3' ' B' ' 0' ' ' ACE . . . -48.82 -14.8 0.07 Allowed 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -178.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.561 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 2.8 mt -108.93 -28.11 9.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.801 0.81 . . . . 0.0 110.068 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.666 ' HB2' ' O ' ' B' ' 2' ' ' VAL . 8.5 tptt -77.69 -41.93 36.34 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.292 -1.322 . . . . 0.0 111.15 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.26 -6.4 58.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.495 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.561 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -90.16 -25.51 20.63 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.675 0.274 . . . . 0.0 111.313 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.407 HG12 HD11 ' A' ' 12' ' ' LEU . 45.6 t -49.31 -36.53 9.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 CA-C-O 120.764 0.316 . . . . 0.0 110.772 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.447 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -56.28 -24.38 42.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.607 179.638 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.27 -28.71 64.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.417 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' B' ' 16' ' ' ASN . 0.8 OUTLIER -82.16 -33.61 29.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.671 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.481 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -90.38 -38.36 13.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.854 -179.588 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -59.44 -35.11 73.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.062 0.458 . . . . 0.0 110.496 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.54 -35.97 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.248 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.448 ' CB ' ' O ' ' B' ' 12' ' ' LEU . 22.0 t30 -69.48 -52.93 21.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.525 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -47.38 -42.82 22.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.579 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.74 -45.3 92.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.443 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.589 ' HA ' ' HG2' ' B' ' 22' ' ' LYS . 1.1 mt -56.98 -49.2 76.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 0.0 110.406 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -43.03 -29.92 0.39 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.075 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -81.97 -51.58 7.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.589 ' HG2' ' HA ' ' B' ' 19' ' ' LEU . 15.7 ptmt -70.11 -39.05 75.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.053 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.414 HG11 HD12 ' A' ' 26' ' ' LEU . 43.1 t -30.28 -57.46 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.192 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.602 ' HA ' ' HD3' ' B' ' 27' ' ' ARG . 3.7 pt20 -59.21 -46.92 87.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.078 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.64 -31.38 66.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.809 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.414 ' HG ' ' CA ' ' B' ' 23' ' ' VAL . 3.1 mt -64.51 -48.05 76.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.719 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.602 ' HD3' ' HA ' ' B' ' 24' ' ' GLN . 2.1 ptt-85 -57.91 -24.44 57.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.083 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -88.83 -24.03 22.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.046 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.14 141.69 18.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.162 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.27 -37.18 3.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.424 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.38 0 O-C-N 122.77 -0.253 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -90.46 25.47 2.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.73 0.3 . . . . 0.0 111.524 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 65.9 t -43.06 -62.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.494 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.47 -45.86 84.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.055 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -28.34 16.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.5 mt -91.23 -31.48 16.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -58.2 -39.31 78.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.47 -27.01 24.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.642 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -56.28 -27.75 56.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.995 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.405 ' HA ' ' CD1' ' B' ' 12' ' ' LEU . 40.5 t -74.63 -57.27 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.536 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.7 -25.46 64.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.752 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -66.98 -57.27 7.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.436 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 71.3 mt -62.17 -35.72 79.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -56.74 -24.66 51.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.809 0.338 . . . . 0.0 110.785 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.03 -37.37 14.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.716 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.04 -56.85 3.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.586 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' LEU . 48.9 t-20 -50.58 -28.22 8.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.991 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -88.25 -21.88 24.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -85.62 9.57 15.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.762 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.7 mt -127.15 -50.69 1.43 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.856 0.36 . . . . 0.0 110.411 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -48.95 -27.9 3.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.04 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.37 -28.46 18.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.779 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.11 -26.12 31.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.746 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.6 t -70.64 -30.55 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.213 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.37 -24.61 30.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.719 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -111.08 -39.21 4.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.238 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.4 mt -57.36 -33.45 67.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.173 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.436 ' N ' HD11 ' B' ' 26' ' ' LEU . 5.1 pt-20 -90.17 50.81 1.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.24 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -63.66 -28.04 69.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.785 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -59.51 -29.84 68.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.4 -70.0 1.12 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.522 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 O-C-N 122.705 -0.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -90.18 -75.82 0.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.922 0.391 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.766 ' O ' ' HB2' ' B' ' 6' ' ' LYS . 20.0 t -69.65 -19.27 22.88 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.68 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.766 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -91.72 -66.46 0.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.053 0.454 . . . . 0.0 111.948 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.08 -17.9 0.16 Allowed 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.667 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 2.9 mt -107.38 -41.68 5.02 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.795 0.807 . . . . 0.0 109.894 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.766 ' HB2' ' O ' ' B' ' 2' ' ' VAL . 5.1 tppt? -50.89 -53.42 32.71 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.403 -1.271 . . . . 0.0 111.267 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -26.14 62.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.652 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.667 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -71.72 -29.26 64.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.813 0.339 . . . . 0.0 110.923 -179.789 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.43 ' N ' ' HG3' ' B' ' 8' ' ' ARG . 88.8 t -67.82 -32.43 56.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.572 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.434 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 84.6 mt-30 -59.3 -34.18 71.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.676 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.0 -15.7 59.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.782 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.406 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -99.11 -42.55 7.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.851 0.358 . . . . 0.0 110.965 -179.746 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.436 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -85.51 -25.15 27.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.892 -179.227 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -53.38 -48.48 68.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.874 0.368 . . . . 0.0 110.908 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -83.87 -43.64 15.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.474 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.408 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 45.9 t30 -56.55 -52.19 65.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.093 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -52.35 -36.69 54.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.68 -50.7 56.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.704 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.626 ' HA ' ' CG ' ' B' ' 22' ' ' LYS . 0.6 OUTLIER -65.12 -52.91 52.58 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.537 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -39.9 -30.63 0.09 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.916 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -44.97 20.52 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.085 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.626 ' CG ' ' HA ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -81.93 -27.64 33.22 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.224 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.7 t -47.13 -59.7 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.291 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -56.64 -37.55 70.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.66 -41.26 90.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.8 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.436 HD11 ' N ' ' A' ' 27' ' ' GLU . 93.8 mt -60.33 -64.24 1.02 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.747 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -22.29 55.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.248 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -31.88 66.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -59.19 121.15 10.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.32 -54.73 0.48 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 O-C-N 122.756 -0.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -90.07 132.14 35.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.88 -48.03 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.109 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.76 -32.47 70.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.189 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -58.84 -42.8 90.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.2 mt -71.92 -33.03 67.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.043 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -57.45 -49.05 77.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -26.87 42.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.004 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -55.66 -28.57 56.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.899 0.38 . . . . 0.0 110.641 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.436 ' CG2' ' HD2' ' B' ' 8' ' ' ARG . 65.0 t -75.13 -58.47 4.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.521 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.46 -29.71 50.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -61.73 -53.91 49.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.843 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 47.1 mt -71.02 -29.44 65.37 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.974 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -62.61 -27.64 69.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.667 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.23 -30.86 18.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.82 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.1 -56.92 3.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.694 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' LEU . 45.1 t-20 -50.72 -28.13 8.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -89.29 -35.45 16.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.68 -24.36 65.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.526 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.7 mt -91.47 -46.98 7.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.654 0.264 . . . . 0.0 111.091 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.24 -42.12 13.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.865 0.364 . . . . 0.0 111.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.76 -25.82 62.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.79 -28.26 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.404 ' CG1' ' CD1' ' B' ' 26' ' ' LEU . 9.0 t -78.76 -31.62 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.48 -28.36 63.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.279 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -99.07 -37.77 9.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.0 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.1 mt -61.25 -41.67 97.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.954 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.31 -17.17 40.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.286 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.1 t60 -53.62 -64.76 0.72 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.797 0.332 . . . . 0.0 111.11 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.43 96.13 9.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.35 -78.69 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.487 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 O-C-N 122.789 -0.242 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.11 -177.07 5.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.722 0.296 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' B' ' 6' ' ' LYS . 19.7 t -43.63 -73.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.239 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -61.75 -38.12 86.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.375 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.05 -21.48 66.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.939 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.461 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 9.3 mt -111.75 -48.93 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.707 0.765 . . . . 0.0 109.786 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' B' ' 2' ' ' VAL . 1.8 tppp? -42.7 -36.97 1.58 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.53 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.68 -31.32 36.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.241 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.461 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -71.35 -26.01 62.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.337 . . . . 0.0 111.052 -179.835 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.405 ' CG1' HD13 ' A' ' 12' ' ' LEU . 70.0 t -68.02 -40.79 83.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.73 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -55.74 -31.83 62.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.57 -17.47 64.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.637 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.414 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -95.17 -46.8 6.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.869 0.366 . . . . 0.0 110.864 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.74 -18.47 51.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.627 -179.613 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.41 -53.75 54.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.895 0.379 . . . . 0.0 111.029 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.463 ' HD3' ' CD1' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -84.28 -33.13 24.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.416 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 62.1 t-20 -61.77 -50.5 72.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 110.743 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -50.16 -31.84 14.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.009 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.43 -54.17 11.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.463 ' CD1' ' HD3' ' B' ' 15' ' ' ARG . 1.0 OUTLIER -66.21 -52.66 45.78 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.501 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.447 ' HA ' HG22 ' B' ' 23' ' ' VAL . 0.1 OUTLIER -45.19 -30.17 1.12 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.15 179.412 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -81.81 -43.85 17.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.72 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.422 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.33 0.55 57.2 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.574 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.447 HG22 ' HA ' ' B' ' 20' ' ' LYS . 35.5 t -49.06 -61.75 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.937 0.398 . . . . 0.0 110.872 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -62.11 -33.36 74.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.837 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.14 -29.69 70.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.404 ' CD1' ' CG1' ' A' ' 23' ' ' VAL . 94.8 mt -74.66 -50.1 18.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -30.12 61.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 50.2 m170 -90.25 18.42 6.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.374 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.18 -30.58 68.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.859 0.362 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.62 125.67 2.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 O-C-N 122.755 -0.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -90.15 146.27 24.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.962 0.41 . . . . 0.0 110.711 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.6 t -53.8 -51.93 39.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.266 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.97 -37.91 75.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.06 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -59.16 -36.46 75.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 mt -64.7 -45.98 84.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.755 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -63.15 -41.27 99.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.767 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -72.55 -31.49 65.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.673 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -58.22 -24.8 60.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.941 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.419 ' HA ' ' CD1' ' B' ' 12' ' ' LEU . 87.6 t -75.08 -59.78 2.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.708 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -24.32 30.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -67.9 -56.55 8.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.852 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 47.5 mt -70.46 -30.87 67.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.961 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -59.47 -27.17 65.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.721 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.14 -37.1 14.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -80.76 -55.16 5.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 12' ' ' LEU . 39.9 t30 -50.33 -33.99 22.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.045 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -78.1 -41.81 34.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -56.48 -34.89 67.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.31 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.4 mt -84.96 -42.56 14.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.943 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -51.84 -26.53 10.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.107 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -94.65 -26.5 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.024 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -86.52 -25.48 25.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.989 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.1 t -85.99 -35.3 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.33 -31.29 67.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.993 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -78.68 -39.83 35.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.5 mt -65.98 -69.14 0.32 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -90.06 52.29 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -57.63 -23.26 50.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.144 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -56.25 -53.11 61.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.832 0.348 . . . . 0.0 111.049 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.06 146.59 20.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.427 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 O-C-N 122.727 -0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -84.5 -160.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.617 0.246 . . . . 0.0 111.292 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 60.4 t -39.64 -85.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.878 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.422 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 0.5 OUTLIER -57.65 -39.6 77.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.835 0.35 . . . . 0.0 111.252 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.03 -28.37 16.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.563 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.441 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 10.1 mt -112.23 -49.05 2.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 109.43 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.422 ' HB3' ' HA ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -45.05 -34.38 2.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.803 179.062 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -76.1 -46.22 29.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.441 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -55.46 -24.06 28.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.296 -179.844 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.35 -45.52 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.17 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.403 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 1.4 pp0? -52.37 -26.98 13.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.277 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.15 -11.62 60.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.758 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' ' 9' ' ' VAL . 0.5 OUTLIER -99.59 -49.09 4.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.38 . . . . 0.0 110.987 -179.798 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.448 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -78.53 -19.13 53.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.719 -179.336 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -55.15 -54.94 36.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 111.152 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 tpt85 -82.19 -39.39 23.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.42 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 38.8 t30 -56.71 -48.88 76.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -54.84 -31.57 59.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.968 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.04 -54.84 8.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.993 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.426 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 0.8 OUTLIER -59.28 -53.67 55.57 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.531 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.421 ' HA ' HG22 ' B' ' 23' ' ' VAL . 3.1 ttmt -41.97 -30.38 0.27 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.468 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -85.23 -40.04 17.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.989 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.3 -18.3 25.84 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' B' ' 19' ' ' LEU . 92.7 t -43.64 -58.99 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 120.785 0.326 . . . . 0.0 111.425 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.12 -28.72 69.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.917 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.41 -36.14 73.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 83.2 mt -67.01 -60.56 2.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.779 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -36.91 65.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.241 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -65.38 -41.6 93.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.818 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -31.19 71.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.62 59.71 4.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 O-C-N 122.706 -0.29 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.29 123.29 16.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.68 -66.23 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.475 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.94 -52.87 47.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.438 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -52.71 -36.87 58.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.103 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.411 ' CD2' ' HD3' ' B' ' 6' ' ' LYS . 31.9 mt -74.71 -31.33 61.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -78.25 -35.16 48.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.771 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -29.43 47.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.801 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -58.49 -25.78 62.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.825 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.0 t -73.55 -60.75 2.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.579 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.37 -26.21 11.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -68.92 -47.59 65.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.742 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 16' ' ' ASN . 19.2 mt -83.23 -32.74 26.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -59.99 -24.45 64.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.958 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.03 -35.61 15.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.041 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.17 -55.34 3.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 12' ' ' LEU . 48.4 t30 -50.42 -29.26 9.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -86.81 -44.6 11.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -63.7 -19.81 65.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.413 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.3 mt -93.65 -55.48 3.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.798 0.332 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -46.48 -28.88 1.52 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.402 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.53 -29.78 19.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.96 -35.84 25.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.5 t -59.74 -30.18 44.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.012 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.44 -30.5 71.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -87.36 -34.64 18.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.791 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.18 -66.32 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.05 51.85 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.783 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -59.01 -44.82 91.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.014 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.41 -46.33 55.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.89 -80.89 0.67 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 O-C-N 122.707 -0.29 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -90.08 -166.71 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' B' ' 6' ' ' LYS . 98.2 t -46.54 -91.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.306 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.5 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 2.9 tt0 -48.19 -37.63 16.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.047 0.451 . . . . 0.0 110.995 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.79 -35.64 66.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.894 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.525 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 4.6 mt -111.52 -8.91 14.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.296 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' B' ' 2' ' ' VAL . 0.0 OUTLIER -81.57 -34.24 31.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.82 -179.246 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -89.23 -19.22 25.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.29 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.525 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -74.73 -26.49 59.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.707 0.289 . . . . 0.0 111.089 -179.823 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 57.3 t -63.18 -45.85 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.229 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 2.6 pt20 -52.4 -25.53 10.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.148 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.92 -12.39 60.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.7 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.59 -49.56 4.58 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.875 0.369 . . . . 0.0 111.127 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.407 ' N ' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.11 -19.49 56.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.642 -179.42 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -55.61 -56.74 16.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.867 0.365 . . . . 0.0 111.182 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -82.06 -41.4 20.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.051 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.405 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 34.5 t-20 -54.22 -42.93 70.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -53.67 -36.5 62.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.932 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.43 -46.89 45.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.406 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 0.7 OUTLIER -65.86 -55.3 17.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.578 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -43.03 -29.92 0.38 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.407 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -81.75 -42.02 20.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.569 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -19.37 24.21 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' B' ' 19' ' ' LEU . 62.1 t -45.39 -60.62 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.748 0.308 . . . . 0.0 111.3 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.429 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 9.0 mt-30 -63.17 -34.48 77.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.652 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.79 97.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 46.4 mt -61.44 -62.98 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.429 ' CD ' ' HA ' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -51.21 -26.22 6.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.445 -179.846 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.25 -61.59 1.95 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.358 . . . . 0.0 110.955 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.29 109.93 14.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.9 178.74 23.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.549 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 0 O-C-N 122.79 -0.241 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 2' ' ' VAL . 2.8 pm0 -90.19 -7.66 53.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.518 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 1' ' ' GLU . 52.4 t -29.93 -62.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.969 179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.45 -48.56 81.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.042 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -52.04 -28.44 17.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.7 mt -89.84 -38.41 13.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -65.27 -51.57 59.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.805 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -59.53 -27.99 66.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.765 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -58.06 -26.47 62.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.2 t -77.27 -59.07 3.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.697 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.5 -25.5 16.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.964 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.28 -48.6 77.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.665 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.419 ' HA ' ' CG ' ' A' ' 15' ' ' GLU . 17.2 mt -83.5 -41.09 18.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.811 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -46.38 -27.56 1.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.177 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.92 -49.3 12.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.393 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.419 ' CG ' ' HA ' ' A' ' 12' ' ' LEU . 2.8 pt-20 -78.43 -46.24 20.29 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.55 -179.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.421 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 41.6 t30 -55.27 -31.77 61.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.851 0.357 . . . . 0.0 110.971 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -89.27 -36.65 15.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.696 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -64.14 -40.75 96.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.5 mt -72.31 -45.66 59.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -47.36 -29.03 2.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.86 0.362 . . . . 0.0 111.199 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -95.73 -29.03 14.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -80.03 -25.79 40.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.402 ' CG1' ' CD1' ' B' ' 26' ' ' LEU . 20.1 t -77.2 -30.54 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.72 -30.92 69.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.022 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -90.38 -30.54 17.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.0 mt -66.36 -46.54 76.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -90.34 43.62 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.161 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -90.07 -42.98 10.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -86.52 56.09 3.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.48 -172.37 14.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 O-C-N 122.807 -0.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.66 -160.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.662 0.268 . . . . 0.0 111.125 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -37.47 -86.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.059 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.428 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 0.1 OUTLIER -56.19 -40.25 73.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.776 0.322 . . . . 0.0 111.342 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.41 -29.56 16.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.756 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.412 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 8.1 mt -112.09 -44.32 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.675 0.75 . . . . 0.0 109.923 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.428 ' HB3' ' HA ' ' B' ' 3' ' ' GLN . 13.0 ttpp -49.9 -29.4 8.18 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.296 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -89.91 -21.71 22.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.598 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.412 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -74.82 -24.43 58.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.761 0.315 . . . . 0.0 111.112 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.49 -49.0 81.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.218 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 3.7 pt20 -50.73 -27.34 6.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.233 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.44 -14.24 62.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.725 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.408 ' HA ' ' ND2' ' A' ' 16' ' ' ASN . 0.6 OUTLIER -99.19 -45.96 5.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.839 0.352 . . . . 0.0 111.027 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.408 ' N ' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.94 -17.24 53.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.72 -179.413 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -61.8 -59.35 5.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 111.05 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.22 -29.33 34.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.421 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 24.3 t30 -65.61 -46.99 77.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.949 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -54.57 -32.53 58.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.59 -45.39 75.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.57 -50.81 63.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.85 0.357 . . . . 0.0 110.097 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.79 -29.65 0.82 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.381 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -79.19 -41.68 27.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.672 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.421 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.25 -24.54 20.91 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -179.336 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 54.1 t -42.74 -61.08 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.734 0.302 . . . . 0.0 111.434 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.511 ' HA ' ' HD3' ' B' ' 27' ' ' ARG . 8.1 pt20 -64.94 -15.46 62.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.276 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.93 -25.26 32.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.922 0.392 . . . . 0.0 110.59 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 56.4 mt -79.08 -52.05 8.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.291 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.511 ' HD3' ' HA ' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -49.16 -29.18 5.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.31 -179.457 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -81.4 -63.77 1.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.95 124.84 24.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.84 -122.65 3.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.559 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 O-C-N 122.834 -0.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -78.31 99.06 6.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.4 t -90.03 -51.98 11.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.246 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.7 -35.66 70.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.281 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.34 -32.96 74.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.6 mt -87.69 -30.6 20.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -58.54 -55.99 27.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -25.25 66.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.091 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -56.77 -28.64 61.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.815 0.34 . . . . 0.0 110.715 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.415 ' CG2' ' HD2' ' B' ' 8' ' ' ARG . 72.3 t -79.75 -55.84 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.406 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.77 -27.82 31.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.51 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -63.34 -49.27 74.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.61 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 16' ' ' ASN . 18.8 mt -82.9 -34.72 26.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -56.67 -25.08 52.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.959 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.1 -38.26 13.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.007 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.67 -55.08 4.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' LEU . 53.9 t30 -52.89 -29.67 29.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.235 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -80.95 -43.88 19.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -60.83 -27.58 68.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.174 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 mt -88.94 -54.83 3.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.121 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.5 -28.09 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.494 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.72 -27.78 19.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.186 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -86.51 -33.05 20.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.082 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.0 t -66.83 -29.89 47.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.18 -16.21 61.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.55 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -112.54 -29.1 7.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.661 0.267 . . . . 0.0 111.242 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.4 mt -62.46 -76.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.11 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -63.28 -33.68 76.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.106 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -69.41 -64.06 0.95 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -85.29 123.69 31.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -138.52 -115.13 1.3 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.519 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 O-C-N 122.726 -0.279 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -87.79 -162.28 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -38.72 -87.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.043 -179.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.442 ' O ' ' HD3' ' B' ' 7' ' ' LYS . 10.0 mt-30 -55.41 -37.99 68.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.976 0.417 . . . . 0.0 111.385 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.18 -28.87 56.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.607 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.488 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 8.9 mt -112.35 -45.73 3.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.65 0.738 . . . . 0.0 109.809 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -45.68 -36.63 5.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.625 -1.171 . . . . 0.0 111.125 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.442 ' HD3' ' O ' ' B' ' 3' ' ' GLN . 0.1 OUTLIER -84.3 -39.23 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.844 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.488 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -58.72 -25.12 62.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 58.9 t -65.98 -44.69 92.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -53.05 -25.17 11.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.104 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.39 -5.31 44.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.742 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.04 -48.25 3.41 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.917 0.389 . . . . 0.0 111.109 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.415 ' N ' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -78.27 -19.11 54.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.686 -179.426 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.6 78.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.824 0.345 . . . . 0.0 111.335 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -38.59 14.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.403 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 49.3 t-20 -56.67 -41.76 77.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.173 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -51.52 -37.53 49.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.059 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.81 -47.65 37.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.043 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' B' ' 23' ' ' VAL . 0.7 OUTLIER -64.33 -53.66 45.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.955 0.407 . . . . 0.0 110.14 179.737 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -44.89 -27.29 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.472 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.07 -43.33 11.77 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.275 -0.421 . . . . 0.0 112.007 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.409 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.11 -33.85 16.11 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' B' ' 19' ' ' LEU . 53.4 t -38.62 -63.67 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -179.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -55.26 -29.38 57.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.12 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.14 -38.77 69.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.085 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 28.5 mt -67.43 -39.88 85.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -82.42 0.7 40.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.465 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.06 -35.59 15.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.853 0.358 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -76.56 -46.56 25.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -94.17 44.3 2.33 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.373 0 O-C-N 122.736 -0.273 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.38 116.43 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.788 0.328 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.6 t -83.07 -50.98 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.76 -36.83 70.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.074 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -59.1 -49.78 76.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.761 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.4 mt -73.8 -27.57 61.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.733 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -54.2 -44.25 71.43 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.07 -29.15 70.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.713 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -58.19 -27.3 63.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.494 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.1 t -84.79 -48.59 16.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.155 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.62 -27.26 64.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.396 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -58.74 -63.56 1.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.579 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.491 HD12 ' N ' ' B' ' 13' ' ' LYS . 53.3 mt -66.96 -39.73 87.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.639 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -48.55 -28.36 3.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.869 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.24 -42.22 16.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.713 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -76.7 -57.45 3.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.525 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 12' ' ' LEU . 59.0 t-20 -49.39 -28.31 4.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.023 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -73.8 -33.29 64.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.484 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -63.21 -28.69 70.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.99 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.429 HD13 ' CD ' ' B' ' 20' ' ' LYS . 14.1 mt -92.34 -56.53 3.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -46.66 -31.41 2.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -70.74 -36.17 73.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -88.26 -27.35 21.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.445 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.6 t -80.68 -51.18 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.465 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.23 -39.91 88.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.555 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -70.58 -43.81 68.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.585 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.405 HD12 ' N ' ' B' ' 27' ' ' ARG . 11.7 mt -54.99 -69.5 0.13 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.208 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.09 52.87 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.819 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -89.95 -5.31 56.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.517 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -47.93 -36.1 11.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.787 0.327 . . . . 0.0 111.291 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 62.94 122.22 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.563 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 O-C-N 122.674 -0.309 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -90.22 -171.9 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 111.249 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -40.08 -82.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.003 -179.702 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -53.82 -25.09 17.81 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.547 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.18 -24.69 54.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.446 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.416 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 4.8 mt -110.39 -44.94 3.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.718 0.771 . . . . 0.0 109.68 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' B' ' 2' ' ' VAL . 0.1 OUTLIER -47.48 -45.07 25.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.471 -1.24 . . . . 0.0 111.37 179.337 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -6.51 58.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.545 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.416 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -89.4 -24.92 21.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.782 0.325 . . . . 0.0 111.251 -179.862 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 69.1 t -53.45 -46.59 59.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.113 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -54.06 -24.33 16.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.049 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.98 -22.32 59.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.543 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mt -89.37 -39.42 13.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.892 0.377 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.493 ' HA ' ' HB3' ' B' ' 16' ' ' ASN . 0.0 OUTLIER -85.77 -21.08 28.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.526 -179.597 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.8 -46.34 71.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.015 0.436 . . . . 0.0 110.514 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.532 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -88.35 -54.75 4.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.777 178.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.493 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 45.7 t30 -38.9 -33.51 0.12 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.655 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -67.67 -66.8 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.961 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.49 -54.38 37.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.068 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' B' ' 15' ' ' ARG . 10.9 mt -48.67 -51.12 30.08 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.704 0.288 . . . . 0.0 110.634 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' B' ' 16' ' ' ASN . 0.2 OUTLIER -41.57 -32.7 0.38 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.313 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -87.63 -41.12 13.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.139 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.472 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.55 -4.93 56.54 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.567 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' B' ' 19' ' ' LEU . 59.1 t -49.15 -52.42 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.714 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.409 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 3.5 pt20 -69.69 -29.23 66.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.702 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.9 -32.95 74.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 19.1 mt -67.91 -55.01 14.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.409 ' CD ' ' HA ' ' B' ' 24' ' ' GLN . 0.7 OUTLIER -64.14 -26.54 68.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.427 -179.651 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -90.39 14.85 11.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.46 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.06 -67.22 0.75 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.83 0.347 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.2 -175.08 2.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.54 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 O-C-N 122.745 -0.268 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.56 123.06 24.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.912 0.387 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.5 t -85.46 -57.56 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.211 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.41 -34.08 60.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.174 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -60.41 -41.63 94.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.796 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.4 mt -76.95 -33.54 57.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.66 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -58.81 -33.87 70.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.605 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -80.51 -27.7 37.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.505 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -55.81 -28.32 55.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.662 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.41 ' CG2' ' HD2' ' B' ' 8' ' ' ARG . 96.0 t -75.64 -55.34 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.557 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.07 -26.83 61.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.629 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -64.94 -57.67 8.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.655 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 16' ' ' ASN . 42.2 mt -68.86 -31.41 70.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.793 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -58.62 -28.25 65.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.595 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.16 -39.24 12.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.68 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -77.46 -57.02 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.667 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 12' ' ' LEU . 44.5 t30 -50.65 -32.47 19.2 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -83.31 -28.55 28.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -74.67 -26.37 59.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.164 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.7 mt -95.77 -51.68 4.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.113 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -48.43 -28.88 3.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 111.074 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -28.4 21.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.49 -38.27 20.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.879 0.371 . . . . 0.0 110.833 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.4 t -63.52 -31.15 51.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.724 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.46 -13.04 61.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.202 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.419 ' HA ' ' HG2' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -116.65 -2.92 11.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.322 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.0 mt -97.54 -52.95 3.6 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 120.677 0.275 . . . . 0.0 111.58 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.15 -36.37 14.86 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -78.34 -91.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.081 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.419 ' HG2' ' HA ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -90.09 172.66 8.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.784 0.326 . . . . 0.0 110.731 179.764 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 178.01 69.32 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.507 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 O-C-N 122.732 -0.275 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' B' ' 2' ' ' VAL . 4.8 pt-20 -84.62 -170.31 3.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.722 0.296 . . . . 0.0 111.273 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -33.02 -80.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.898 -179.717 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.426 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 16.9 pt20 -58.94 -46.55 87.73 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.9 0.381 . . . . 0.0 111.154 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.88 -26.89 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.846 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.4 HD22 ' NE ' ' B' ' 8' ' ' ARG . 10.4 mt -112.39 -46.97 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.659 0.742 . . . . 0.0 109.684 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' B' ' 2' ' ' VAL . 0.1 OUTLIER -49.03 -30.98 6.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.508 -1.223 . . . . 0.0 110.879 179.301 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' B' ' 3' ' ' GLN . 0.6 OUTLIER -81.28 -27.08 35.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.196 -179.895 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.41 ' HD2' ' CG2' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.07 -25.57 55.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.757 0.313 . . . . 0.0 110.892 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.417 ' CG1' HD11 ' A' ' 12' ' ' LEU . 59.7 t -62.16 -30.04 47.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -60.21 -21.06 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.985 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.25 6.37 19.8 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.783 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.404 ' CD1' ' HA ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -121.52 -39.94 2.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.772 0.32 . . . . 0.0 110.877 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.87 -21.4 23.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.444 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.63 -58.53 6.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.878 0.371 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -41.53 59.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -56.89 -49.59 75.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.023 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -48.5 -39.37 22.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.081 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.43 -48.85 66.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.567 ' HA ' ' HG2' ' B' ' 22' ' ' LYS . 0.6 OUTLIER -67.21 -52.77 37.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 109.982 179.72 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -42.05 -30.5 0.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.62 -39.79 36.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.315 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.567 ' HG2' ' HA ' ' B' ' 19' ' ' LEU . 13.6 ptmt -88.19 -41.22 13.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.944 -179.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' B' ' 22' ' ' LYS . 39.8 t -31.29 -56.3 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -60.01 -46.02 90.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' B' ' 22' ' ' LYS . . . -58.83 -38.81 79.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 23.7 mt -66.59 -58.32 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.603 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -60.39 -47.65 85.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -60.26 -26.59 66.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -55.73 108.33 0.43 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.043 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 162.87 42.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 O-C-N 122.686 -0.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.045 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -82.84 125.92 31.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.11 -51.2 56.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.29 -37.44 77.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -59.43 -35.55 74.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.8 mt -84.57 -36.3 22.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.16 -46.59 88.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -63.27 -36.84 85.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.402 ' HG2' ' CG1' ' B' ' 9' ' ' VAL . 1.5 tt0 -63.07 -19.26 64.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.097 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.401 ' CG2' ' HD2' ' B' ' 8' ' ' ARG . 77.3 t -77.21 -59.96 2.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.766 0.317 . . . . 0.0 110.544 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.16 -26.38 50.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.74 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -64.61 -45.87 85.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.64 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 19.9 mt -86.42 -32.5 20.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.032 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -59.67 -23.96 63.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.138 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.17 -34.14 15.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.184 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -89.43 -53.28 4.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 12' ' ' LEU . 48.3 t30 -49.55 -30.14 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.283 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -85.06 -30.87 23.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.101 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -70.04 -31.25 68.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.351 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.8 mt -87.0 -38.46 16.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.093 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -53.8 -25.98 21.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.123 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -95.68 -24.61 16.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.134 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -89.96 -23.1 21.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.228 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.9 t -90.02 -28.22 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.265 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.64 -26.0 20.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.516 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -104.46 -40.05 6.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.136 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.417 ' HB3' ' CB ' ' B' ' 26' ' ' LEU . 80.2 mt -59.17 -33.25 70.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.19 50.39 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.919 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -70.24 -29.68 66.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -61.04 -43.48 98.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.831 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.16 -117.23 1.69 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 O-C-N 122.758 -0.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -90.64 22.09 3.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.569 0.223 . . . . 0.0 111.559 . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.686 ' O ' ' CB ' ' B' ' 6' ' ' LYS . 21.4 t -49.19 -17.68 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.508 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -93.94 -71.05 0.68 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.23 0.538 . . . . 0.0 112.031 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.31 -17.35 7.48 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.765 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.709 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 10.7 mt -105.45 -11.29 16.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.459 0.647 . . . . 0.0 110.323 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.686 ' CB ' ' O ' ' B' ' 2' ' ' VAL . 0.1 OUTLIER -89.78 -70.55 0.66 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.993 -179.193 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.4 -26.19 40.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.948 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.709 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -64.6 -31.6 72.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.944 -179.813 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.451 ' N ' ' HG3' ' B' ' 8' ' ' ARG . 99.6 t -61.78 -48.93 86.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.539 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.421 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 1.9 mt-30 -55.54 -24.28 31.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.777 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.43 -20.65 54.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.465 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.431 ' CD1' ' HA ' ' B' ' 9' ' ' VAL . 0.7 OUTLIER -87.75 -47.64 8.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.094 0.473 . . . . 0.0 110.38 179.827 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.477 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.74 -23.22 49.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.593 -179.508 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -53.25 -58.48 6.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.92 0.39 . . . . 0.0 110.861 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.407 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 3.3 tpt180 -74.84 -49.61 19.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.468 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.413 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 38.8 t-20 -49.6 -52.52 29.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.2 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -51.29 -40.7 59.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.944 0.402 . . . . 0.0 110.714 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.42 -48.94 73.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.608 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.446 ' HA ' ' HG3' ' B' ' 22' ' ' LYS . 1.3 mt -61.3 -56.44 20.49 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.17 -31.2 0.07 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.683 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -83.17 -41.75 18.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.878 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.446 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -90.31 -23.73 21.07 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.716 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' B' ' 19' ' ' LEU . 65.8 t -41.38 -66.78 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 120.72 0.295 . . . . 0.0 111.388 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.406 ' O ' ' CD2' ' B' ' 28' ' ' HIS . 13.8 pt20 -57.89 -31.05 66.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.711 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.61 -39.87 88.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.749 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.417 ' CB ' ' HB3' ' A' ' 26' ' ' LEU . 76.7 mt -60.6 -64.1 1.07 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.525 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -29.47 63.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.077 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' B' ' 24' ' ' GLN . 0.4 OUTLIER -60.35 -31.14 70.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.835 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -60.42 3.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.74 -105.69 0.69 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.474 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 O-C-N 122.747 -0.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.177 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -90.48 25.52 2.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.733 0.301 . . . . 0.0 111.462 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 86.4 t -44.05 -57.34 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.391 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.11 -43.89 74.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -25.8 7.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.8 mt -97.52 -33.57 11.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -61.14 -66.37 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.723 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.7 -21.77 30.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.949 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -57.63 -31.08 65.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.88 0.371 . . . . 0.0 110.2 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.407 HG22 ' CD ' ' B' ' 8' ' ' ARG . 12.4 t -78.83 -48.54 21.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.933 178.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.85 -30.38 5.73 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 121.324 0.583 . . . . 0.0 109.614 178.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.24 -73.9 0.12 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.48 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.756 HD23 ' HB2' ' B' ' 13' ' ' LYS . 0.6 OUTLIER -38.36 -61.47 0.68 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.368 179.318 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -52.58 -30.01 28.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.349 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.49 -36.75 16.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.168 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -90.14 -53.99 4.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.827 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.632 ' N ' ' O ' ' A' ' 12' ' ' LEU . 52.5 t-20 -47.94 -28.71 2.85 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.795 0.331 . . . . 0.0 110.907 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -80.67 -45.87 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.18 -41.96 60.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.6 mt -73.59 -51.47 16.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.655 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -49.23 -28.24 4.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.24 -28.64 27.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -89.4 -29.56 18.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.3 t -75.04 -27.81 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.25 -26.9 53.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.3 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -95.74 -33.15 12.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.953 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.3 mt -59.61 -69.22 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -87.35 55.63 3.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -67.42 -64.98 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.963 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -85.54 -31.17 22.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.96 -38.18 2.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.454 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 O-C-N 122.753 -0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.042 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -90.17 -162.96 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.707 0.289 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 99.7 t -42.43 -86.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.163 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.637 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.459 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 8.5 pt20 -56.59 -38.58 72.2 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.698 0.285 . . . . 0.0 111.378 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.77 -29.93 42.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.68 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.405 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 8.5 mt -110.01 -43.45 3.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.686 0.755 . . . . 0.0 109.637 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.459 ' HB3' ' HA ' ' B' ' 3' ' ' GLN . 0.3 OUTLIER -51.69 -44.4 63.12 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.352 -1.295 . . . . 0.0 111.242 179.601 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -76.55 -24.52 53.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.328 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.407 ' CD ' HG22 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -68.71 -25.63 64.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.107 -179.771 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.488 ' HA ' ' CD1' ' A' ' 12' ' ' LEU . 77.1 t -58.0 -31.82 42.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-O 121.132 0.491 . . . . 0.0 109.876 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 41.2 mt-30 -66.48 -12.51 57.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.934 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -91.26 -31.87 15.96 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.652 HD11 ' HB2' ' A' ' 12' ' ' LEU . 1.1 mt -91.41 -85.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.674 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.756 ' HB2' HD23 ' A' ' 12' ' ' LEU . 8.1 tptt -43.0 -29.62 0.35 Allowed 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 123.435 0.694 . . . . 0.0 112.753 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -43.07 -38.51 2.38 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 121.295 0.569 . . . . 0.0 110.634 -177.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.494 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 5.1 tmm_? -90.34 -30.15 17.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.175 178.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.535 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 63.9 t-20 -60.7 -50.93 71.51 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.938 0.399 . . . . 0.0 111.091 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -53.61 -30.3 41.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.273 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.51 -55.44 5.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.282 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' B' ' 15' ' ' ARG . 1.1 mt -58.74 -52.32 66.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.791 0.329 . . . . 0.0 110.188 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.5 -29.34 0.69 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.597 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -86.01 -40.11 16.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.854 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.451 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.46 -5.56 55.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -178.823 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' B' ' 19' ' ' LEU . 19.7 t -43.54 -65.53 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-O 120.748 0.309 . . . . 0.0 111.356 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -67.69 -32.1 72.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.601 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.14 -31.73 72.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 22.8 mt -69.54 -63.6 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.745 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -41.43 65.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.192 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -60.92 -51.89 67.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -73.15 97.85 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.47 56.45 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.444 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 O-C-N 122.693 -0.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.406 ' HA ' ' CH3' ' B' ' 0' ' ' ACE . 0.5 OUTLIER -89.79 176.41 6.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.911 0.386 . . . . 0.0 110.769 . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.578 ' N ' ' O ' ' B' ' 0' ' ' ACE . 42.4 t -63.26 -40.9 90.77 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-O 121.287 0.565 . . . . 0.0 109.924 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.15 -32.69 68.42 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.274 178.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -71.86 -38.16 70.1 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.604 178.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.67 HD12 ' O ' ' B' ' 1' ' ' GLU . 10.5 mt -50.05 -47.01 53.64 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -45.94 67.13 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.95 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 1.3 mptt -66.96 -26.72 66.96 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.251 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.11 -21.76 62.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.988 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.416 ' HA ' ' CD1' ' B' ' 12' ' ' LEU . 43.8 t -76.36 -59.25 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.331 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.7 -29.34 17.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.981 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.27 -56.46 20.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.457 179.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 16' ' ' ASN . 61.2 mt -70.37 -31.57 68.87 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.866 0.365 . . . . 0.0 110.696 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -59.72 -25.72 65.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.662 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.04 -35.8 15.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.766 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -82.97 -57.78 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.591 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 12' ' ' LEU . 37.9 t30 -47.71 -31.05 4.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -82.75 -39.64 21.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.834 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.98 -27.84 68.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.246 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.0 mt -90.37 -52.34 4.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.161 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -47.7 -28.34 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 111.35 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.45 -28.5 16.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.154 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.06 -33.54 24.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.995 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.1 t -62.86 -32.9 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.033 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.65 -27.7 68.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.035 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -93.24 -34.33 13.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.2 mt -57.63 -57.2 13.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.04 51.34 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -83.76 -59.39 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.37 -31.19 29.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.69 126.33 7.71 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.575 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 O-C-N 122.698 -0.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . 0.578 ' O ' ' N ' ' A' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.222 -0.361 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.736 ' O ' ' HE3' ' B' ' 6' ' ' LYS . 0.1 OUTLIER -90.14 4.63 49.85 Favored 'General case' 0 CA--C 1.474 -1.956 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 1.124 ' O ' ' N ' ' B' ' 4' ' ' ALA . 2.4 p -27.69 117.82 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.421 -1.889 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.317 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.56 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -31.02 1.61 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.854 0 O-C-N 124.682 1.239 . . . . 0.0 110.309 178.799 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 1.124 ' N ' ' O ' ' B' ' 2' ' ' VAL . . . -45.91 -50.51 14.47 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.419 177.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.432 ' HB2' HD11 ' A' ' 5' ' ' LEU . 5.9 mt -123.22 -9.18 8.14 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.243 -1.799 . . . . 0.0 108.709 177.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.736 ' HE3' ' O ' ' B' ' 1' ' ' GLU . 8.7 ttpp -81.1 -20.92 40.42 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.363 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.406 ' HB3' ' CG ' ' B' ' 3' ' ' GLN . 2.0 ptmt -78.89 -20.48 49.36 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 177.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' B' ' 9' ' ' VAL . 0.0 OUTLIER -90.05 -30.13 17.93 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.119 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.461 ' N ' ' HG3' ' B' ' 8' ' ' ARG . 91.6 t -63.81 -31.31 52.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.599 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 4.5 mt-30 -59.74 -21.82 61.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.053 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.7 2.67 25.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.947 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.416 ' CD1' ' HA ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -113.93 -50.43 2.83 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.897 0.379 . . . . 0.0 110.822 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.431 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -78.94 -19.09 52.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.596 -179.652 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -55.82 -62.33 1.77 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.898 0.38 . . . . 0.0 111.035 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -71.05 -39.11 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.767 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -60.43 -43.1 97.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.955 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -52.17 -36.87 52.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.142 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.05 -49.67 48.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' B' ' 23' ' ' VAL . 0.9 OUTLIER -65.67 -51.58 58.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.837 0.351 . . . . 0.0 110.091 179.623 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.445 ' HA ' HG22 ' B' ' 23' ' ' VAL . 5.5 tttm -45.76 -29.72 1.4 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.287 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.87 -42.37 21.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.634 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -14.49 33.4 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.445 HG22 ' HA ' ' B' ' 20' ' ' LYS . 42.5 t -46.82 -67.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.798 0.332 . . . . 0.0 111.187 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -59.78 -29.12 67.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.867 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.67 -38.87 84.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.028 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 39.1 mt -62.58 -61.0 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.17 -31.35 63.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -64.75 -30.87 71.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.923 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.14 -46.38 11.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -160.94 93.36 0.12 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.554 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 O-C-N 122.721 -0.282 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -90.08 148.61 22.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.914 0.387 . . . . 0.0 110.799 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.8 t -55.93 -48.02 79.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.252 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.56 -35.72 75.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -56.47 -39.07 72.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.6 mt -70.67 -31.51 68.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -62.89 -39.86 95.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -75.17 -30.55 60.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.748 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -58.63 -25.4 62.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.719 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.8 t -81.53 -55.03 8.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.416 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.82 -25.95 21.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.652 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -65.08 -47.58 76.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.424 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 16' ' ' ASN . 19.6 mt -85.99 -48.47 8.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.693 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -46.83 -28.67 1.64 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.225 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.66 -31.51 22.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.096 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -90.06 -56.41 3.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' LEU . 40.2 t30 -49.63 -44.58 47.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.202 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -67.63 -41.99 83.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.98 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -59.79 -32.2 70.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.8 mt -89.64 -45.81 9.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.09 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -47.01 -28.73 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.339 . . . . 0.0 111.263 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.0 tp60 -94.41 -31.02 14.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.69 -26.2 41.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.749 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.1 t -75.77 -26.44 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.147 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.77 -16.93 60.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.552 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -111.89 -34.15 6.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.603 0.239 . . . . 0.0 111.309 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.402 ' CD2' ' HB3' ' B' ' 27' ' ' ARG . 50.5 mt -55.18 -49.53 71.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.271 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.11 53.33 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -71.56 -32.75 68.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -65.55 -57.78 7.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.59 42.21 55.58 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 O-C-N 122.778 -0.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.15 -166.84 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.318 . . . . 0.0 111.203 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -43.28 -88.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.577 -179.842 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.451 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 0.4 OUTLIER -58.52 -34.04 70.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.667 0.27 . . . . 0.0 111.337 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.71 -29.59 62.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.378 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.537 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 10.0 mt -111.13 -44.52 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.711 0.767 . . . . 0.0 109.762 179.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.451 ' HB3' ' HA ' ' B' ' 3' ' ' GLN . 0.7 OUTLIER -48.11 -35.05 10.73 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.368 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -90.04 -28.71 18.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.427 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.537 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -65.65 -27.44 68.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.722 0.296 . . . . 0.0 110.987 -179.84 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.05 -41.49 83.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -57.59 -22.31 44.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.025 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.97 2.03 40.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.815 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.6 -37.8 4.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.833 0.349 . . . . 0.0 110.84 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.1 -21.92 22.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.462 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.72 -51.8 68.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -83.88 -33.94 24.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.984 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -63.22 -47.32 83.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -48.87 -30.3 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.141 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.76 -53.18 8.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.899 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.439 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 0.8 OUTLIER -63.73 -51.72 63.67 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.478 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.452 ' HA ' HG22 ' B' ' 23' ' ' VAL . 2.4 tttt -44.42 -29.61 0.72 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.201 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -85.58 -39.56 17.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.693 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.418 ' CG ' ' HA ' ' B' ' 19' ' ' LEU . 0.2 OUTLIER -90.45 -5.04 56.56 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.848 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.452 HG22 ' HA ' ' B' ' 20' ' ' LYS . 21.5 t -47.66 -66.87 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.192 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.421 ' HB2' ' CE1' ' B' ' 28' ' ' HIS . 9.4 pt20 -62.6 -36.42 82.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.835 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.17 -27.45 63.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 20.5 mt -78.37 -55.47 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.935 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.402 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -65.64 -43.71 88.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.295 -179.739 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.421 ' CE1' ' HB2' ' B' ' 24' ' ' GLN . 27.4 m170 -59.76 -60.4 3.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.924 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -67.77 -45.94 73.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.12 65.02 1.36 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 O-C-N 122.736 -0.273 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -60.66 110.35 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.3 t -90.09 -56.99 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.278 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.98 -26.83 39.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.436 -179.744 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -81.97 1.59 34.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.534 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.7 mt -117.94 -40.66 2.97 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.77 0.319 . . . . 0.0 110.896 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.86 -74.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.573 179.701 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -23.92 44.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.783 179.706 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -58.12 -28.62 64.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.875 0.369 . . . . 0.0 110.503 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.418 ' CG2' ' HD2' ' B' ' 8' ' ' ARG . 79.6 t -72.89 -57.56 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.448 179.592 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.77 -26.3 33.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.652 179.441 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -53.94 32.2 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.54 179.642 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 46.9 mt -73.43 -31.11 63.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.733 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -60.45 -25.71 66.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.827 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.86 -36.72 14.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.98 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.08 -54.64 5.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.767 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' LEU . 38.8 t30 -51.81 -31.05 25.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.001 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -77.28 -41.82 39.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -56.91 -26.2 58.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.316 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.4 mt -95.7 -47.2 6.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -48.81 -27.77 3.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.332 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -93.4 -29.35 15.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -83.03 -25.91 31.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.028 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.03 -32.08 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.61 -34.18 72.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.003 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -80.18 -38.95 30.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.2 mt -60.17 -66.86 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -90.0 52.64 2.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -71.02 -34.06 70.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -31.87 65.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.01 -178.74 16.56 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 O-C-N 122.727 -0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.033 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -90.01 -170.38 2.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 111.295 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' B' ' 6' ' ' LYS . 45.5 t -38.26 -80.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.223 -0.337 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.925 -179.529 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.465 ' HG2' ' N ' ' B' ' 4' ' ' ALA . 0.0 OUTLIER -57.97 -33.63 69.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.599 -179.6 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.465 ' N ' ' HG2' ' B' ' 3' ' ' GLN . . . -63.49 -25.55 68.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.749 0.309 . . . . 0.0 111.428 -179.816 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.577 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 12.1 mt -110.87 -48.4 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.731 0.777 . . . . 0.0 109.643 179.254 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' B' ' 2' ' ' VAL . 9.4 ttpp -45.12 -41.85 8.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.442 -1.254 . . . . 0.0 110.997 179.142 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' B' ' 3' ' ' GLN . 10.8 mtpt -71.7 -38.83 70.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.577 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -70.34 -26.89 63.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.314 -179.694 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.412 ' N ' ' HG3' ' B' ' 8' ' ' ARG . 89.4 t -67.6 -50.65 59.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.776 0.322 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.445 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 1.2 pt20 -50.34 -29.01 8.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.013 -179.881 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.53 -18.98 63.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.578 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.443 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -92.41 -41.43 10.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.884 0.373 . . . . 0.0 110.932 -179.912 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.464 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -85.5 -25.93 26.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.719 -179.424 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -54.09 -53.48 52.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.964 0.411 . . . . 0.0 110.958 179.796 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 2.9 tpt85 -80.41 -45.29 17.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.589 179.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.416 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 49.7 t-20 -53.59 -51.02 64.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.021 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -53.56 -29.02 35.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.669 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.33 -44.81 24.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.019 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.417 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 0.7 OUTLIER -63.76 -56.39 15.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 179.694 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -42.8 -28.67 0.26 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.663 179.733 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -86.72 -39.66 15.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.76 -179.568 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.434 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.1 OUTLIER -90.29 -20.8 22.52 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.047 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' B' ' 19' ' ' LEU . 73.4 t -42.04 -43.31 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 120.764 0.316 . . . . 0.0 111.378 -179.419 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.413 ' HA ' ' HD3' ' B' ' 27' ' ' ARG . 28.7 pt20 -74.17 -34.17 63.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.696 179.662 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.43 -30.25 71.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.953 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 36.1 mt -72.38 -63.49 1.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.798 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.413 ' HD3' ' HA ' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -54.72 -23.71 18.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.449 -179.883 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -81.63 -53.91 5.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.784 0.325 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -174.27 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 170.68 -34.83 0.17 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 O-C-N 122.787 -0.243 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -90.38 26.06 2.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 111.518 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.8 t -44.54 -65.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.514 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.7 91.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.154 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -28.52 9.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.999 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mt -95.04 -28.98 14.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.671 179.68 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.54 -37.97 82.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -87.85 -27.96 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -59.36 -25.35 64.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.125 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.7 t -74.91 -59.06 3.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.835 0.35 . . . . 0.0 110.49 179.534 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.59 -26.28 21.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.685 179.397 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -65.53 -50.95 63.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.565 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 32.5 mt -78.51 -30.98 47.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.729 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -59.85 -27.03 66.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.731 179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.92 -37.34 14.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -80.36 -54.82 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.681 179.777 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' LEU . 43.7 t-20 -52.46 -31.76 36.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.992 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -73.79 -42.46 60.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -24.85 53.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.419 -179.622 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.4 mt -97.79 -48.76 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.067 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -49.21 -28.51 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.206 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.26 -30.37 20.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.1 -179.906 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -83.27 -37.52 23.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.9 t -64.6 -39.59 86.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.071 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.63 -27.15 64.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.231 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -97.3 -40.37 8.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.7 mt -59.41 -68.75 0.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -86.46 57.78 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -70.94 -44.84 65.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -76.75 -67.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.32 121.9 5.93 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 O-C-N 122.671 -0.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . 0.457 ' CH3' ' HB2' ' B' ' 4' ' ' ALA . . . . . . . . 0 C--O 1.23 0.06 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -90.48 -158.58 0.55 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.744 0.307 . . . . 0.0 111.688 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -34.75 -85.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -179.287 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.511 ' HA ' ' HE3' ' B' ' 7' ' ' LYS . 14.7 pt20 -49.16 -26.75 3.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.836 0.351 . . . . 0.0 111.423 -179.409 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.457 ' HB2' ' CH3' ' B' ' 0' ' ' ACE . . . -72.87 -25.31 61.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.263 179.852 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.432 ' CD2' ' HD3' ' B' ' 8' ' ' ARG . 2.9 mt -111.42 -48.84 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.677 0.751 . . . . 0.0 109.536 179.589 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' B' ' 2' ' ' VAL . 0.1 OUTLIER -43.72 -32.09 0.94 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.255 179.185 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.511 ' HE3' ' HA ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -90.11 -31.32 17.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.334 -179.693 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.432 ' HD3' ' CD2' ' B' ' 5' ' ' LEU . 0.1 OUTLIER -73.3 -16.29 61.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.256 -179.715 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 98.7 t -74.64 -51.97 20.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.867 0.365 . . . . 0.0 110.474 179.313 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.409 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 0.2 OUTLIER -49.63 -29.77 7.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.093 -179.779 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.71 -20.55 65.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.516 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.428 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -91.05 -44.79 9.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.95 0.405 . . . . 0.0 110.812 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -80.71 -24.68 38.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.53 -179.55 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -54.06 -53.15 57.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.845 0.355 . . . . 0.0 110.953 179.853 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -82.79 -41.34 19.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.595 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.417 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 49.0 t30 -55.05 -49.2 72.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -51.55 -32.47 28.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.728 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.38 -44.67 35.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.05 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.412 ' HA ' ' HG3' ' B' ' 22' ' ' LYS . 0.8 OUTLIER -62.47 -56.8 14.66 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.698 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.73 -28.86 0.16 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.695 179.857 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -85.19 -41.23 15.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.692 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.412 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.28 -32.36 16.56 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.105 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 86.0 t -38.93 -58.0 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 120.715 0.293 . . . . 0.0 111.722 -179.338 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.419 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 2.5 pt20 -61.65 -34.63 76.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.96 -43.14 93.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.093 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.23 -60.83 3.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.419 ' CD ' ' HA ' ' B' ' 24' ' ' GLN . 2.2 ptt180 -54.78 -27.11 39.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -33.53 76.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.979 179.871 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.72 51.9 2.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.989 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -159.9 -107.28 0.23 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.491 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 O-C-N 122.728 -0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -88.84 111.42 22.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.64 -46.99 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.68 -23.28 27.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.348 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -87.23 7.65 27.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.356 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.402 ' CD1' ' CG1' ' B' ' 2' ' ' VAL . 18.2 mt -117.14 -39.11 3.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.768 0.318 . . . . 0.0 110.851 179.9 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -76.98 -60.74 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.651 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -60.6 -29.85 69.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.421 ' HG2' ' CG1' ' B' ' 9' ' ' VAL . 3.9 tt0 -55.63 -27.27 48.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.413 ' HA ' ' CD1' ' B' ' 12' ' ' LEU . 75.7 t -71.31 -56.65 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.425 179.537 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.65 -27.31 62.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.043 0.449 . . . . 0.0 110.404 179.33 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -50.27 52.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.684 179.65 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 16' ' ' ASN . 21.5 mt -78.69 -34.71 45.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.882 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -59.97 -27.53 66.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.889 0.376 . . . . 0.0 110.563 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.04 -36.11 15.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.818 179.541 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -82.38 -57.02 3.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.728 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 12' ' ' LEU . 45.0 t30 -50.97 -35.29 32.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 179.661 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.401 ' CE1' ' OE1' ' A' ' 21' ' ' GLN . 35.4 t80 -74.9 -43.91 51.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.047 -179.89 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -42.52 85.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 -179.765 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.8 mt -75.21 -50.03 17.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.066 -179.776 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -46.54 -28.85 1.55 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.897 0.38 . . . . 0.0 111.256 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.401 ' OE1' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -83.88 -34.86 24.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.975 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -81.76 -39.36 24.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.761 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.3 t -62.18 -36.96 77.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.03 -25.67 63.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.113 179.818 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -101.88 -30.02 11.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 mt -63.53 -47.14 82.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.07 52.9 2.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -90.0 -51.1 5.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -90.18 17.98 6.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.504 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.47 170.84 31.54 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.391 0 O-C-N 122.714 -0.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -89.25 -163.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.402 ' CG1' ' CD1' ' A' ' 5' ' ' LEU . 87.0 t -44.64 -87.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.213 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.733 -179.628 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -55.79 -26.82 48.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.65 0.262 . . . . 0.0 111.582 -179.518 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.63 -28.91 68.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.783 0.325 . . . . 0.0 111.463 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 9.4 mt -110.96 -42.7 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.561 0.696 . . . . 0.0 109.831 179.491 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.05 -30.11 2.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.176 179.54 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.53 -23.91 31.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.354 -179.784 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.412 ' HD2' ' CG2' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -83.13 -26.13 31.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.227 -179.824 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.421 ' CG1' ' HG2' ' A' ' 8' ' ' GLU . 64.2 t -65.95 -37.27 79.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -21.09 39.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.143 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.52 4.92 25.93 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.843 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.413 ' CD1' ' HA ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -116.75 -50.91 2.59 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.87 0.366 . . . . 0.0 110.745 179.924 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -19.97 56.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.423 -179.659 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.52 -56.68 18.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 111.158 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -80.88 -38.93 27.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -55.54 -48.13 75.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.05 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -51.12 -30.71 17.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.092 -179.826 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.02 -50.04 12.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.434 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 0.8 OUTLIER -64.87 -52.65 55.45 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.589 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.41 ' HA ' HG22 ' B' ' 23' ' ' VAL . 0.2 OUTLIER -45.56 -28.83 1.03 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.37 179.718 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -40.59 15.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.676 -179.513 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.432 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.4 -4.02 57.32 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.779 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' B' ' 19' ' ' LEU . 21.7 t -45.09 -61.47 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 120.835 0.35 . . . . 0.0 111.261 -179.507 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.407 ' HA ' ' CG ' ' B' ' 27' ' ' ARG . 65.9 mt-30 -61.81 -44.81 96.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.78 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.33 -30.61 12.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.26 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 60.1 mt -78.77 -60.85 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.407 ' CG ' ' HA ' ' B' ' 24' ' ' GLN . 0.1 OUTLIER -58.19 -54.82 42.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.305 -179.742 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -69.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.938 -179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -63.41 159.91 17.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 146.89 45.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.428 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.37 0 O-C-N 122.766 -0.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -90.12 122.41 33.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.537 ' HA ' ' O ' ' B' ' 0' ' ' ACE . 38.0 t -43.23 -41.16 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.434 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 6' ' ' GLU . . . -47.17 -26.52 1.17 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.233 -179.58 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -60.49 -24.04 64.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.268 0.556 . . . . 0.0 109.772 178.63 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.635 ' HG ' ' HA ' ' B' ' 1' ' ' GLU . 15.7 mt -78.42 -36.52 45.51 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.541 179.272 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 3' ' ' ALA . 0.2 OUTLIER -47.0 -32.04 3.64 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.452 0.644 . . . . 0.0 110.15 179.797 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -77.18 -33.61 56.42 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.782 -179.899 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 5' ' ' LEU . 2.4 tt0 -67.04 -22.51 65.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.882 178.187 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.7 t -81.62 -49.04 18.22 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.723 179.154 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.3 -24.4 43.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.998 178.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -56.23 -61.94 2.05 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.21 179.373 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' ASN . 13.4 mt -70.77 -52.13 22.63 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 120.471 -0.492 . . . . 0.0 109.961 178.875 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 12' ' ' LEU . 71.4 mt-10 -34.38 -35.56 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.335 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -64.58 -55.91 17.35 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.417 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' LEU . 2.7 pt-20 -79.04 -43.86 23.39 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.252 178.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.56 ' OD1' ' CB ' ' B' ' 16' ' ' ASN . 0.8 OUTLIER -50.66 -27.78 7.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.96 179.146 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -82.79 -22.69 34.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.696 179.604 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.59 0.18 24.07 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.483 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.486 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 31.5 mt -124.69 -58.95 1.47 Allowed 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.0 109.997 179.536 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -28.4 32.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.084 179.534 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.15 -32.48 10.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.814 179.809 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -27.64 53.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.641 179.704 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 19' ' ' LEU . 45.8 t -62.55 -44.04 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.172 179.438 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.12 -24.3 25.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.441 179.903 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.483 ' HA ' ' CE1' ' A' ' 28' ' ' HIS . 8.2 pt20 -104.0 -32.14 9.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.195 -179.847 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.434 ' HA ' ' CG ' ' A' ' 29' ' ' GLU . 6.4 mt -55.17 -54.73 39.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.024 0.44 . . . . 0.0 111.475 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -41.97 68.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.64 -178.876 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.483 ' CE1' ' HA ' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -90.02 -19.44 24.41 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.775 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.434 ' CG ' ' HA ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -90.0 50.72 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 111.121 -179.713 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.9 65.02 3.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.465 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.37 0 O-C-N 122.778 -0.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . 0.537 ' O ' ' HA ' ' A' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.229 -0.015 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.698 ' O ' ' HE3' ' B' ' 6' ' ' LYS . 0.6 OUTLIER -91.61 -12.82 33.15 Favored 'General case' 0 CA--C 1.485 -1.531 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 . . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 1.132 ' O ' ' N ' ' B' ' 4' ' ' ALA . 0.1 OUTLIER -29.32 115.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.169 -179.274 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.552 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 5.1 mt-30 -29.18 9.37 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 125.037 1.461 . . . . 0.0 111.845 -179.483 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 1.132 ' N ' ' O ' ' B' ' 2' ' ' VAL . . . -53.66 -48.14 69.7 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 122.482 1.134 . . . . 0.0 108.128 177.6 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.441 ' HB2' HD11 ' A' ' 5' ' ' LEU . 2.7 mt -127.14 -4.84 6.17 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 112.843 -1.98 . . . . 0.0 108.821 177.442 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.698 ' HE3' ' O ' ' B' ' 1' ' ' GLU . 7.4 ttpp -84.38 -17.14 40.34 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.152 -179.765 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.468 ' HB3' ' HB3' ' B' ' 3' ' ' GLN . 15.8 ptmt -90.1 -17.42 27.75 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.965 177.667 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -90.17 -33.73 16.11 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.358 -179.013 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.419 ' N ' ' HG3' ' B' ' 8' ' ' ARG . 94.9 t -46.39 -46.67 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 120.691 0.281 . . . . 0.0 111.147 -179.523 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.468 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -50.5 -31.9 16.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.074 0.464 . . . . 0.0 110.058 179.494 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.16 -19.91 56.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.31 179.539 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.517 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 0.3 OUTLIER -95.88 -53.48 3.67 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.865 0.364 . . . . 0.0 110.371 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.493 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.35 -44.72 28.43 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -178.78 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -53.95 -38.06 64.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.683 0.277 . . . . 0.0 111.569 -179.319 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 12.8 tpp85 -90.11 -34.31 15.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.553 -179.747 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.56 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 40.9 t30 -74.22 -35.98 63.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.71 0.29 . . . . 0.0 111.352 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -48.29 -47.19 36.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.059 0.456 . . . . 0.0 110.583 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.38 -42.25 98.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.474 -179.65 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.731 ' HA ' ' HG2' ' B' ' 22' ' ' LYS . 1.0 OUTLIER -60.81 -47.65 85.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.965 0.412 . . . . 0.0 110.247 -179.869 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.411 ' HA ' HG22 ' B' ' 23' ' ' VAL . 17.2 tttt -45.42 -28.5 0.89 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.126 179.626 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.55 -34.22 23.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.486 -179.642 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.731 ' HG2' ' HA ' ' B' ' 19' ' ' LEU . 14.9 ptmt -90.05 -9.52 48.24 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.249 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.444 ' HA ' HD13 ' B' ' 26' ' ' LEU . 61.9 t -40.65 -55.05 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 120.68 0.276 . . . . 0.0 111.493 -179.162 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.422 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 7.8 mt-30 -69.34 -31.5 69.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.629 179.727 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.98 -21.93 65.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' B' ' 23' ' ' VAL . 30.8 mt -78.04 -60.05 2.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.422 ' CD ' ' HA ' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -49.7 -25.91 3.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.328 179.906 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -63.36 -30.48 71.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.17 -173.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -110.84 -76.48 0.85 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.536 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 O-C-N 122.78 -0.247 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -90.45 24.76 2.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.723 0.297 . . . . 0.0 111.467 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 90.8 t -42.87 -57.62 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.563 179.824 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.58 -29.21 66.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -72.29 -9.78 58.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.493 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 mt -107.4 -32.51 7.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.772 0.32 . . . . 0.0 111.083 -179.821 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -73.76 -56.55 4.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.002 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -62.18 -29.21 70.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -58.51 -25.45 62.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.3 t -74.72 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.77 179.796 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.28 -26.11 11.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.944 179.728 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -53.51 33.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.694 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 16' ' ' ASN . 32.2 mt -77.52 -31.7 53.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.962 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.7 -25.1 64.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.99 -36.64 14.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.184 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -85.11 -53.67 5.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 12' ' ' LEU . 40.4 t30 -49.39 -32.84 12.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.417 ' CE1' ' HG3' ' A' ' 21' ' ' GLN . 31.3 t80 -76.91 -36.68 56.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -59.51 -29.9 68.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.278 -179.705 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.1 mt -92.3 -53.97 4.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.188 -179.81 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -47.66 -28.13 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.391 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.417 ' HG3' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -91.74 -25.22 19.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.195 -179.846 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -89.54 -34.98 16.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.799 0.333 . . . . 0.0 111.001 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.49 -28.99 46.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 -179.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.95 -28.03 65.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -99.23 -30.18 12.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.019 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 72.5 mt -56.64 -54.89 40.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.03 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -90.03 58.3 4.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -86.63 -48.1 8.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.59 -61.05 2.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.941 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.67 -55.09 2.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.449 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 O-C-N 122.694 -0.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.425 ' N ' ' HB2' ' B' ' 4' ' ' ALA . 1.5 pm0 -78.42 -173.16 3.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.928 0.394 . . . . 0.0 111.314 . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' B' ' 6' ' ' LYS . 45.6 t -38.69 -81.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.223 -0.32 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.966 -179.564 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -57.28 -43.65 83.32 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.839 0.352 . . . . 0.0 111.444 -179.672 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.425 ' HB2' ' N ' ' B' ' 1' ' ' GLU . . . -53.6 -27.53 27.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.788 -179.353 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.603 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 12.2 mt -110.35 -46.07 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 0.0 110.05 179.499 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' B' ' 2' ' ' VAL . 8.8 ttpt -47.66 -39.14 16.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.259 179.471 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -81.04 -42.41 21.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.369 -179.492 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.603 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -53.76 -25.87 20.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.367 -179.482 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 57.4 t -60.7 -42.98 94.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.413 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -55.83 -22.95 27.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.129 -179.861 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.97 1.31 31.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.848 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.25 -51.14 2.86 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.898 0.38 . . . . 0.0 110.819 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.437 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -76.92 -26.17 53.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.586 -179.496 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -52.55 -51.06 61.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.822 0.344 . . . . 0.0 111.131 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.14 -47.74 12.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.65 179.686 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.423 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 27.4 t30 -51.22 -48.12 62.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -54.2 -34.12 59.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 110.642 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.62 -49.47 21.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.429 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 0.7 OUTLIER -61.9 -54.88 35.9 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.496 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.406 ' CA ' HG22 ' B' ' 23' ' ' VAL . 0.6 OUTLIER -43.27 -29.54 0.41 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.465 179.681 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -86.52 -40.56 15.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.677 -179.585 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.401 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -90.45 -3.17 57.85 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.904 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' B' ' 19' ' ' LEU . 19.9 t -46.67 -65.06 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 111.209 -179.564 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -61.56 -41.15 96.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.74 -29.0 37.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 39.1 mt -77.49 -63.72 1.31 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -26.77 49.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.19 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -65.23 -61.67 1.99 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.804 0.335 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.09 101.06 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.31 163.82 9.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 O-C-N 122.792 -0.24 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.058 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -76.93 105.06 7.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -77.36 -63.22 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.02 -29.45 60.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -61.49 -35.13 76.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.2 mt -77.44 -29.99 53.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -56.98 -50.09 73.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -69.51 -24.73 63.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.969 -179.886 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.37 -28.54 63.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.596 179.477 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.6 t -77.64 -55.76 9.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.584 179.551 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.83 -28.03 46.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.758 179.604 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -59.71 -55.27 36.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.671 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.3 mt -75.66 -38.22 58.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 179.83 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -51.51 -26.09 7.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.172 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.48 -36.01 22.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.024 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.31 -55.62 3.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.801 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -49.69 -37.11 27.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.046 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -69.97 -44.23 69.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.35 -25.63 59.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.363 -179.798 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.6 mt -99.07 -47.96 5.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.028 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -51.09 -26.76 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.146 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.47 -28.62 20.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -85.88 -38.71 17.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.796 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.4 t -62.19 -39.53 84.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.722 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.12 -31.49 68.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.713 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -82.36 -39.29 22.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.695 179.759 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.8 mt -56.43 -73.52 0.06 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.807 179.822 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -90.12 51.11 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.86 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -67.38 -34.72 77.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.3 pm0 -60.4 -31.0 69.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.88 30.66 3.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.483 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.394 0 O-C-N 122.767 -0.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . 0.405 ' O ' ' CD1' ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.23 0.066 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -90.22 -167.51 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 0.0 111.287 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -42.71 -87.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.482 -179.808 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.449 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 4.0 pt20 -56.65 -38.35 72.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.806 0.336 . . . . 0.0 111.231 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.86 -30.14 44.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.593 -179.595 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.445 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 8.0 mt -110.71 -42.8 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.643 0.735 . . . . 0.0 109.945 179.393 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.449 ' HB3' ' HA ' ' B' ' 3' ' ' GLN . 5.7 ttpp -51.56 -38.26 53.53 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.332 179.703 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.59 -26.06 35.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.364 -179.593 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.445 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -68.55 -24.72 64.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.774 0.321 . . . . 0.0 111.046 -179.921 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 48.1 t -60.01 -43.66 93.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.972 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 1.6 pp0? -53.09 -25.07 11.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 -179.904 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.81 -1.89 30.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.811 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.12 -38.66 4.4 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.699 0.285 . . . . 0.0 111.055 -179.807 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.03 -25.18 20.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.728 -179.376 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -58.17 -55.84 29.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.851 0.358 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.402 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 4.5 tpp180 -76.75 -49.31 16.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.611 179.845 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -50.95 -42.84 60.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.183 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -54.47 -38.29 66.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.714 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.54 -44.92 56.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.961 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.481 ' HA ' ' HG3' ' B' ' 22' ' ' LYS . 0.8 OUTLIER -61.9 -57.47 11.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.036 179.701 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -42.27 -30.92 0.34 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.703 179.826 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -87.87 -40.31 14.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.742 -179.417 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.481 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -90.47 -0.38 57.64 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -178.885 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' B' ' 19' ' ' LEU . 35.7 t -48.86 -64.08 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.853 0.358 . . . . 0.0 111.001 -179.624 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.92 -34.88 78.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.749 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.84 -31.09 68.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 75.2 mt -72.26 -62.54 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.746 179.81 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -27.15 62.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.812 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -66.25 0.54 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.921 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.01 173.34 6.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.54 -123.55 5.01 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.51 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 O-C-N 122.723 -0.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -78.89 100.98 7.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.317 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 37.1 t -90.04 -67.02 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.07 -29.73 22.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.328 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.12 -22.34 66.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.069 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 mt -99.26 -42.23 7.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.999 -179.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -57.29 -45.37 84.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.135 -179.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -73.99 -31.06 62.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.043 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.53 -24.24 63.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.074 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.408 ' CG2' ' HD2' ' B' ' 8' ' ' ARG . 79.1 t -78.51 -59.53 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.615 179.742 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.94 -25.65 12.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.956 0.407 . . . . 0.0 110.958 179.583 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -68.58 -41.05 80.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.818 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 16.0 mt -92.02 -38.21 12.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.244 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -54.47 -24.54 20.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.125 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.03 -36.97 14.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -84.67 -54.55 4.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.961 -179.907 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' LEU . 35.1 t30 -48.42 -33.07 8.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -81.41 -43.31 19.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.965 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -28.99 65.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.247 -179.671 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.9 mt -89.3 -45.49 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.176 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.0 -28.26 2.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.308 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -91.17 -30.33 16.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -83.46 -22.88 32.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.083 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.4 t -86.84 -30.7 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.113 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.96 -29.48 68.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.334 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -89.81 -38.86 13.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.166 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.5 mt -57.42 -67.12 0.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.077 -179.849 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -88.03 58.12 4.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -79.96 -66.0 0.93 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -81.6 -31.2 32.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.12 -168.27 0.22 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.525 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 O-C-N 122.752 -0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.048 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.65 -163.4 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.769 0.319 . . . . 0.0 111.004 . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -42.73 -86.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.849 -179.545 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -54.65 -26.98 36.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.712 0.292 . . . . 0.0 111.507 -179.577 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.67 -28.11 66.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.464 -179.682 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.446 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 9.6 mt -110.78 -44.94 3.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.708 0.766 . . . . 0.0 109.799 179.455 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' B' ' 2' ' ' VAL . 1.9 ttpp -45.74 -32.52 2.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.442 -1.254 . . . . 0.0 111.491 179.524 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.19 -18.35 25.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.86 -179.242 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.446 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -81.19 -25.6 36.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.596 0.236 . . . . 0.0 111.479 -179.457 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.412 ' HA ' ' CD1' ' B' ' 12' ' ' LEU . 60.9 t -64.99 -39.41 85.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.829 0.347 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -18.95 41.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.186 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.21 12.06 16.99 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -179.67 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.412 ' CD1' ' HA ' ' B' ' 9' ' ' VAL . 0.6 OUTLIER -121.64 -51.12 2.06 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.006 0.431 . . . . 0.0 110.701 179.709 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -78.74 -22.35 46.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.49 -179.702 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.33 -53.38 58.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.327 . . . . 0.0 111.3 -179.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -86.78 -34.2 19.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.028 -179.883 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.407 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 29.0 t30 -62.46 -44.6 96.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 -179.814 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -54.77 -29.36 53.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.127 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.7 -50.52 15.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.048 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.442 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 0.9 OUTLIER -62.02 -55.82 25.3 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.625 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.419 ' CA ' HG22 ' B' ' 23' ' ' VAL . 0.1 OUTLIER -42.64 -29.58 0.3 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.618 179.831 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -85.59 -40.11 16.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.718 -179.396 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.428 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.37 -8.96 49.37 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -178.721 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' B' ' 19' ' ' LEU . 13.4 t -43.63 -54.86 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 120.837 0.351 . . . . 0.0 111.372 -179.281 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -67.68 -34.71 77.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.79 -29.23 70.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.254 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 48.7 mt -76.78 -59.59 2.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -37.3 73.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.998 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -76.23 -72.45 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.64 137.08 40.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.57 -177.54 42.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.526 179.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 O-C-N 122.767 -0.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.757 HD12 ' HB2' ' B' ' 5' ' ' LEU . 2.9 mt . . . . . 0 CA--C 1.519 -0.227 0 CA-C-O 120.973 0.416 . . . . 0.0 109.92 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -50.96 -27.38 7.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.534 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.78 -24.79 14.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.51 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -68.4 -22.67 64.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.447 HG12 ' OE1' ' A' ' 13' ' ' GLU . 78.0 t -81.03 -54.61 9.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.259 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.76 -23.94 46.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.999 0.428 . . . . 0.0 110.495 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -67.87 -55.31 13.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.603 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.498 HD12 HD12 ' B' ' 12' ' ' LEU . 28.9 mt -76.47 -46.3 27.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.837 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.447 ' OE1' HG12 ' A' ' 9' ' ' VAL . 29.7 mt-10 -48.26 -28.16 2.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.849 0.357 . . . . 0.0 110.947 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.64 -32.86 28.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.669 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -88.04 -57.1 3.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.537 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 12' ' ' LEU . 18.7 t-20 -47.24 -34.7 6.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.895 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -80.18 -34.52 37.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -29.12 68.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.206 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.767 ' O ' HG23 ' A' ' 23' ' ' VAL . 45.8 mt -87.22 -52.0 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.219 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.29 -28.45 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.468 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -85.12 -29.43 24.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.185 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -89.05 -34.07 16.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.875 0.369 . . . . 0.0 111.026 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 19' ' ' LEU . 11.6 t -71.64 -29.78 35.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.026 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.66 -19.12 63.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.422 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -110.67 -37.1 5.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.345 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 26' ' ' LEU . 26.2 mt -55.91 -62.66 1.55 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.744 0.307 . . . . 0.0 111.211 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.581 ' HB3' HD22 ' B' ' 26' ' ' LEU . 5.3 pt-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.985 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 121.976 0.893 . . . . 0.0 112.4 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.482 ' HA ' ' HE3' ' B' ' 7' ' ' LYS . . . -91.17 -43.56 9.79 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 113.708 -1.587 . . . . 0.0 108.569 177.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.757 ' HB2' HD12 ' A' ' 5' ' ' LEU . 2.2 mt -118.76 -36.63 3.42 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 112.777 -2.01 . . . . 0.0 108.508 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.694 ' HB2' HD11 ' A' ' 5' ' ' LEU . 7.3 ttpp -55.45 -24.25 29.84 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.981 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.482 ' HE3' ' HA ' ' B' ' 4' ' ' ALA . 0.0 OUTLIER -85.8 -20.18 29.58 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.778 179.159 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.527 ' NE ' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -90.23 -32.64 16.49 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.485 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.477 ' N ' ' HG3' ' B' ' 8' ' ' ARG . 77.3 t -59.76 -35.13 58.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.771 0.32 . . . . 0.0 111.075 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.698 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 29.6 mt-30 -62.7 -15.17 51.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.324 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.07 -12.26 38.97 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.498 HD12 HD12 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -96.92 -51.05 4.4 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.757 0.313 . . . . 0.0 111.259 -179.693 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.488 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.4 -19.29 56.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.797 -178.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -58.47 -58.26 9.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.357 . . . . 0.0 111.31 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.73 -34.65 24.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.676 ' OD1' HD12 ' A' ' 19' ' ' LEU . 46.5 t30 -58.49 -43.25 88.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.252 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -57.92 -32.31 67.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.257 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.49 -53.49 11.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.288 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.961 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.8 OUTLIER -59.35 -54.25 48.91 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.224 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.76 -28.63 0.25 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.524 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -86.8 -39.55 15.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.84 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.618 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.1 OUTLIER -90.35 -20.01 23.35 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.851 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.961 HG23 ' O ' ' B' ' 19' ' ' LEU . 96.7 t -42.21 -62.41 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 120.74 0.305 . . . . 0.0 111.612 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -29.96 69.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.01 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.05 -32.56 73.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.176 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.618 HD11 ' HD3' ' B' ' 22' ' ' LYS . 75.4 mt -72.67 -55.67 6.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.029 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.621 HD22 ' CG ' ' B' ' 6' ' ' LYS . 6.0 mt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.867 0.365 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.599 ' HG2' HD13 ' B' ' 5' ' ' LEU . 13.8 mt-10 -67.75 -43.03 80.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.024 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -28.22 65.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.628 ' HG2' HG11 ' B' ' 9' ' ' VAL . 45.4 tt0 -59.47 -25.56 64.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.858 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.785 ' CG2' HG22 ' B' ' 9' ' ' VAL . 78.1 t -77.07 -61.29 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.467 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.45 -27.73 4.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.958 0.408 . . . . 0.0 110.797 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -66.66 -39.79 88.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.704 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.476 HD12 HG13 ' B' ' 9' ' ' VAL . 12.8 mt -92.85 -41.46 10.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -52.48 -24.98 8.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.237 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.2 -35.47 17.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.207 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -87.39 -54.78 4.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.051 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.437 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 48.1 t30 -50.35 -27.91 7.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.353 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -89.1 -48.09 7.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -59.29 -29.64 67.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.867 ' O ' HG23 ' A' ' 23' ' ' VAL . 64.4 mt -77.37 -52.93 8.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.939 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -47.44 -28.7 2.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.842 0.353 . . . . 0.0 111.34 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.08 -27.98 15.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.099 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -83.38 -31.98 26.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.985 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.877 HG13 ' CD1' ' B' ' 26' ' ' LEU . 38.5 t -64.43 -28.88 45.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.055 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.85 -25.38 63.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.233 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.36 -27.76 13.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.122 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' B' ' 27' ' ' ARG . 37.4 mt -57.52 -60.78 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 111.131 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.697 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.029 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.492 ' N ' HE21 ' B' ' 3' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.798 0.332 . . . . 0.0 111.283 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.11 -29.93 58.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.51 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.599 HD13 ' HG2' ' A' ' 6' ' ' GLU . 9.5 mt -111.1 -45.31 3.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.576 0.703 . . . . 0.0 109.854 179.22 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.621 ' CG ' HD22 ' A' ' 5' ' ' LEU . 10.6 ttpp -46.71 -33.8 4.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.598 -1.183 . . . . 0.0 111.28 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.415 ' HD3' ' O ' ' B' ' 3' ' ' GLN . 8.3 mtpt -84.62 -43.42 14.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.296 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.554 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -53.55 -24.44 13.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.595 -179.582 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.785 HG22 ' CG2' ' A' ' 9' ' ' VAL . 55.2 t -62.22 -40.66 88.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.187 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.56 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -58.66 -20.63 49.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.232 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.67 8.69 21.39 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.507 HD11 HG13 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -120.46 -50.09 2.23 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.885 0.374 . . . . 0.0 110.687 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.461 ' HB3' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.53 -20.54 54.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.507 -179.658 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -56.54 -51.69 67.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.37 . . . . 0.0 111.381 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.97 -34.04 16.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.077 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.437 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 31.0 t-20 -62.94 -40.47 97.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.02 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -52.72 -33.08 46.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.797 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.6 -46.53 31.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.873 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.7 OUTLIER -65.93 -53.71 35.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.158 179.751 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -44.88 -28.68 0.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.363 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -83.32 -42.04 17.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.516 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.426 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.15 -14.08 34.34 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.349 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.873 HG23 ' O ' ' B' ' 19' ' ' LEU . 43.5 t -48.01 -50.66 10.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.681 0.277 . . . . 0.0 111.06 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.407 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 7.4 mt-30 -70.63 -33.13 70.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.557 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.29 -29.6 70.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.791 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.877 ' CD1' HG13 ' A' ' 23' ' ' VAL . 83.8 mt -70.79 -62.07 1.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.768 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.633 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.24 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.755 HD22 ' HA ' ' B' ' 6' ' ' LYS . 51.4 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.862 0.363 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.45 -27.98 68.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.862 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.45 -32.35 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.484 ' HG2' HG11 ' B' ' 9' ' ' VAL . 64.6 tt0 -61.25 -22.92 65.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.011 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.428 HG13 HD11 ' B' ' 12' ' ' LEU . 94.1 t -80.22 -57.29 5.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.632 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.34 -25.38 23.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -50.72 61.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.659 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' B' ' 13' ' ' LYS . 41.5 mt -80.67 -32.36 36.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -59.89 -24.72 64.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.93 -38.55 13.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.144 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.55 -54.23 5.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.44 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 44.0 t30 -50.67 -30.7 14.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -86.13 -43.19 13.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -57.24 -42.39 81.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.873 HD12 ' OD1' ' B' ' 16' ' ' ASN . 66.4 mt -71.47 -48.34 49.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -51.88 -26.02 9.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.242 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -96.45 -24.85 15.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.198 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -89.94 -26.84 20.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.744 0.306 . . . . 0.0 111.149 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 19' ' ' LEU . 26.3 t -76.27 -29.18 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.122 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.85 -24.1 55.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.296 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -96.88 -37.5 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.142 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.429 HD22 ' HB3' ' B' ' 27' ' ' ARG . 77.7 mt -58.68 -64.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.03 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.467 ' HB3' HD13 ' B' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 121.065 0.46 . . . . 0.0 112.12 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.15 -17.18 1.46 Allowed 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.619 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 2.8 mt -102.83 -29.59 11.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.826 0.822 . . . . 0.0 109.817 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.755 ' HA ' HD22 ' A' ' 5' ' ' LEU . 1.3 tptm -70.75 -65.85 0.68 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.163 -1.38 . . . . 0.0 111.551 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -18.35 38.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.974 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.619 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -76.43 -27.1 56.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.674 0.273 . . . . 0.0 111.54 -179.531 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.484 HG11 ' HG2' ' A' ' 8' ' ' GLU . 76.6 t -60.63 -52.19 64.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.644 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 0.2 OUTLIER -52.47 -28.72 21.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.995 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.56 -19.78 62.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.513 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.451 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -90.48 -46.56 8.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.987 0.422 . . . . 0.0 110.864 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.474 ' HB3' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -80.19 -17.34 52.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.663 -179.587 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.644 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -57.37 -54.93 41.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.099 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.31 -36.4 29.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.873 ' OD1' HD12 ' A' ' 19' ' ' LEU . 28.0 t30 -62.74 -39.76 95.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -53.17 -36.56 61.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.378 . . . . 0.0 110.979 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.21 -45.88 62.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.858 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.9 OUTLIER -65.46 -56.08 14.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.075 179.617 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.29 -29.17 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.486 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -82.13 -41.17 20.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.645 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.62 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.18 -34.33 15.87 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.331 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.858 HG23 ' O ' ' B' ' 19' ' ' LEU . 72.8 t -34.37 -56.66 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.78 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -68.13 -42.67 79.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.557 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.12 -32.37 61.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.62 HD11 ' HD3' ' B' ' 22' ' ' LYS . 80.6 mt -72.87 -63.11 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.783 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.429 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.423 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.653 HD22 ' HA ' ' B' ' 6' ' ' LYS . 13.0 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.766 0.317 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.777 ' HG2' HD13 ' B' ' 5' ' ' LEU . 2.5 mt-10 -59.72 -30.34 68.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -90.65 -27.87 18.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.989 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.58 ' CG ' HG11 ' B' ' 9' ' ' VAL . 26.7 tt0 -59.88 -25.23 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.82 ' CG2' HG22 ' B' ' 9' ' ' VAL . 86.4 t -74.64 -60.67 2.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.614 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.23 -25.27 13.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.8 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -72.48 -43.07 64.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.838 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.538 HD12 HG13 ' B' ' 9' ' ' VAL . 20.1 mt -86.54 -45.49 11.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.121 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.493 ' OE1' HG12 ' A' ' 9' ' ' VAL . 6.0 mt-10 -50.28 -26.47 4.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.269 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.82 -35.09 19.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.7 -55.93 3.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 12' ' ' LEU . 36.3 t30 -48.35 -44.15 34.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.26 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -66.49 -38.42 87.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -70.72 -28.05 64.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.341 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.885 HD12 ' OD1' ' B' ' 16' ' ' ASN . 68.8 mt -90.99 -47.04 7.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.206 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.42 -25.67 10.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.105 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.14 -26.09 15.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.071 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -89.14 -21.08 23.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.099 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 19' ' ' LEU . 21.6 t -89.97 -30.58 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.72 -28.81 57.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.04 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -87.28 -39.94 14.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.757 HD12 ' HA ' ' A' ' 23' ' ' VAL . 15.2 mt -59.58 -62.39 1.91 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.569 ' HG2' HG12 ' A' ' 23' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 . . . . . 0 N--CA 1.463 0.183 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.67 -12.45 0.76 Allowed 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.882 ' O ' HG23 ' B' ' 9' ' ' VAL . 2.8 mt -110.42 -41.19 4.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.843 0.83 . . . . 0.0 109.603 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.653 ' HA ' HD22 ' A' ' 5' ' ' LEU . 9.8 ttpp -55.7 -46.03 77.75 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.921 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -79.71 -32.12 41.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.527 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.635 HH21 HG11 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -69.25 -29.82 67.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.347 -179.449 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.882 HG23 ' O ' ' B' ' 5' ' ' LEU . 94.6 t -66.81 -35.66 75.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.389 . . . . 0.0 110.533 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.503 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 36.7 mt-30 -59.15 -19.23 43.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.193 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.2 10.28 17.42 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.497 HD12 HD12 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -119.96 -47.09 2.41 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.958 0.409 . . . . 0.0 110.824 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.454 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -83.76 -28.76 27.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.55 -179.4 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -51.26 -49.19 61.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 111.366 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -88.48 -45.08 10.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.885 ' OD1' HD12 ' A' ' 19' ' ' LEU . 29.0 t30 -56.22 -38.02 70.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.228 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -53.7 -42.38 67.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.027 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.78 -47.72 65.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.973 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.76 ' O ' HG23 ' B' ' 23' ' ' VAL . 1.0 OUTLIER -62.49 -58.66 6.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.456 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.633 ' HG3' HD11 ' A' ' 19' ' ' LEU . 11.5 tttm -40.6 -31.7 0.17 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.667 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -84.0 -43.47 15.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.064 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.532 ' CD ' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.52 -3.63 57.47 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -178.479 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.76 HG23 ' O ' ' B' ' 19' ' ' LEU . 20.1 t -45.79 -63.74 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 117.984 0.356 . . . . 0.0 111.289 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -60.64 -34.57 74.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.69 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.55 -30.13 69.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.052 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.707 HD12 HG13 ' A' ' 23' ' ' VAL . 85.6 mt -79.47 -61.35 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.512 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.764 HD22 ' CD ' ' B' ' 6' ' ' LYS . 8.7 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.697 0.284 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -86.57 -57.47 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.144 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -56.7 -28.86 61.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.077 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.618 ' HG2' HG11 ' B' ' 9' ' ' VAL . 28.4 tt0 -62.18 -23.31 66.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.939 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.64 ' CG2' HG22 ' B' ' 9' ' ' VAL . 79.2 t -73.79 -60.6 2.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.731 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.03 -25.44 21.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.73 -51.33 57.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.73 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.5 HD12 HG13 ' B' ' 9' ' ' VAL . 24.0 mt -77.18 -36.37 55.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.715 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.466 ' OE1' HG12 ' A' ' 9' ' ' VAL . 13.6 mt-10 -55.24 -24.24 26.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.33 -37.51 18.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.045 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.404 ' HA ' ' HG2' ' A' ' 18' ' ' GLN . 3.4 tt0 -84.58 -54.62 4.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.749 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -54.29 -24.3 18.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -79.36 -53.64 6.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.293 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.404 ' HG2' ' HA ' ' A' ' 15' ' ' GLU . 8.8 pt20 -58.15 -33.29 69.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.282 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.859 ' O ' HG23 ' A' ' 23' ' ' VAL . 55.9 mt -75.33 -51.7 12.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.014 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -50.71 -26.55 5.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.36 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -94.61 -25.21 16.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.237 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -89.01 -29.79 19.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.811 0.338 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 19' ' ' LEU . 9.3 t -78.38 -30.37 15.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.04 -22.07 65.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.369 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -105.29 -36.08 7.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.183 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.647 HD22 ' HA ' ' B' ' 27' ' ' ARG . 14.5 mt -57.1 -46.9 82.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.089 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.073 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.498 ' O ' ' CG ' ' B' ' 7' ' ' LYS . 1.5 pm0 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.874 0.369 . . . . 0.0 111.411 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.92 -28.82 10.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.852 0.358 . . . . 0.0 111.077 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.723 ' O ' HG23 ' B' ' 9' ' ' VAL . 11.2 mt -115.23 -39.09 3.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.446 0.641 . . . . 0.0 110.403 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.764 ' CD ' HD22 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -57.35 -31.94 66.24 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.268 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' B' ' 3' ' ' GLN . 0.8 OUTLIER -90.11 -43.66 10.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.664 -179.601 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.674 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -50.74 -26.67 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.268 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.723 HG23 ' O ' ' B' ' 5' ' ' LEU . 73.5 t -62.22 -46.03 97.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.145 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.505 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 1.1 pp0? -50.74 -30.22 13.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.236 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.23 -13.13 61.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.612 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.449 HD12 HD12 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -99.3 -47.49 5.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.894 0.378 . . . . 0.0 110.927 -179.798 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.433 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.79 -23.57 42.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.713 -179.361 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -55.86 -61.77 2.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.857 0.361 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.45 -38.01 59.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.754 ' OD1' HD12 ' A' ' 19' ' ' LEU . 30.5 t30 -59.35 -42.06 90.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -53.09 -40.6 64.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.38 -45.33 76.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.071 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.857 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.7 OUTLIER -63.15 -56.55 15.8 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.639 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -40.67 -30.22 0.11 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.604 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -82.73 -40.62 20.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.612 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.729 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.44 -31.65 16.73 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.14 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.857 HG23 ' O ' ' B' ' 19' ' ' LEU . 88.6 t -40.35 -61.53 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-O 120.748 0.309 . . . . 0.0 111.627 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.41 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 2.4 pt20 -58.2 -28.99 65.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' B' ' 22' ' ' LYS . . . -72.68 -28.23 62.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.225 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.729 HD11 ' HD3' ' B' ' 22' ' ' LYS . 38.1 mt -78.54 -59.71 2.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.073 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.647 ' HA ' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.485 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.516 HD21 ' HD3' ' B' ' 6' ' ' LYS . 67.3 mt . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.807 0.337 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -60.83 -75.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.427 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -19.64 61.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.585 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -63.67 -27.69 69.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.684 179.394 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.524 HG12 ' N ' ' A' ' 10' ' ' ALA . 1.1 t -69.92 -54.88 16.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.708 0.289 . . . . 0.0 110.381 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.524 ' N ' HG12 ' A' ' 9' ' ' VAL . . . -56.32 -27.29 55.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.049 0.452 . . . . 0.0 110.12 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.415 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 3.6 tp60 -63.9 -73.39 0.12 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.113 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.012 HD11 HG13 ' B' ' 9' ' ' VAL . 0.9 OUTLIER -34.18 -69.21 0.1 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.475 179.303 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.771 ' HG3' HD13 ' B' ' 12' ' ' LEU . 51.2 mt-10 -39.37 -35.37 0.26 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.77 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.657 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . . . -69.59 -55.9 8.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.462 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.657 ' OE1' ' HB3' ' A' ' 14' ' ' ALA . 0.4 OUTLIER -79.1 -50.19 11.43 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.478 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.572 ' N ' ' O ' ' A' ' 12' ' ' LEU . 1.8 t-20 -46.53 -29.01 1.59 Allowed 'General case' 0 CA--C 1.528 0.102 0 CA-C-O 120.793 0.33 . . . . 0.0 111.118 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -90.17 -29.14 18.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.894 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -74.51 -41.04 61.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.247 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.885 ' O ' HG23 ' A' ' 23' ' ' VAL . 76.3 mt -77.68 -53.32 7.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.157 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -48.19 -28.68 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 111.049 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.91 -30.41 31.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.791 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -88.72 -24.68 22.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.781 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.916 HG21 ' HB3' ' B' ' 19' ' ' LEU . 13.0 t -79.48 -31.61 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -33.04 71.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.84 -40.74 18.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.737 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.559 HD22 ' HB3' ' B' ' 27' ' ' ARG . 63.0 mt -58.58 -56.02 27.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.447 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.723 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.423 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 24.4 mt-30 . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.733 0.301 . . . . 0.0 111.488 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.18 -27.23 53.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.723 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.471 HD23 ' HE ' ' B' ' 8' ' ' ARG . 3.0 mt -110.8 -48.35 3.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.569 0.7 . . . . 0.0 109.563 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.516 ' HD3' HD21 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -43.7 -36.45 2.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.654 179.058 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -81.23 -37.64 28.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.473 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.471 ' HE ' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -67.82 -32.03 72.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.736 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 1.012 HG13 HD11 ' A' ' 12' ' ' LEU . 29.4 t -59.34 -37.23 68.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-O 121.105 0.479 . . . . 0.0 109.752 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.569 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 27.3 mm-40 -56.27 -58.67 6.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.495 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -41.13 -30.1 0.14 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 1.007 HD12 HD12 ' A' ' 12' ' ' LEU . 1.3 mt -95.19 -79.21 0.44 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.334 0.588 . . . . 0.0 109.528 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.817 ' HD3' HD22 ' A' ' 12' ' ' LEU . 13.4 tptt -55.23 -35.12 64.58 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -49.87 -32.02 13.46 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 119.059 -1.056 . . . . 0.0 109.939 -177.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.469 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 12.8 tpt85 -90.61 -28.88 18.14 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.193 178.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.776 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 18.6 t30 -73.26 -51.88 16.03 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.101 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -48.34 -28.58 3.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.187 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.59 -49.33 16.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.06 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.916 ' HB3' HG21 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -61.95 -55.35 30.37 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.594 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.554 ' CE ' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -42.43 -29.19 0.26 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.59 179.61 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -86.4 -40.25 15.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.562 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.418 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -90.59 -5.56 55.75 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.823 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 19' ' ' LEU . 7.6 t -46.08 -60.88 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-O 120.805 0.336 . . . . 0.0 111.289 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.416 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 6.2 mt-30 -64.15 -38.75 92.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.12 -29.43 60.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.672 HD12 HG13 ' A' ' 23' ' ' VAL . 57.7 mt -77.35 -64.0 1.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.559 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.273 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.692 HD13 ' HB2' ' B' ' 6' ' ' LYS . 46.6 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.797 0.332 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.517 ' HA ' HD13 ' B' ' 5' ' ' LEU . 3.8 mt-10 -57.11 -56.59 19.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -59.55 -28.75 67.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.108 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.668 ' HG2' HG11 ' B' ' 9' ' ' VAL . 22.5 tt0 -58.99 -25.61 63.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.983 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.773 HG13 HD11 ' B' ' 12' ' ' LEU . 58.8 t -81.19 -55.49 8.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.595 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.11 -25.68 23.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.553 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.46 -45.89 74.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.504 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.47 HD12 HD12 ' B' ' 12' ' ' LEU . 22.1 mt -84.17 -42.86 15.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.635 ' OE1' HG12 ' A' ' 9' ' ' VAL . 20.7 mt-10 -48.47 -28.37 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.065 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.26 -37.53 17.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -80.22 -56.86 3.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.703 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 12' ' ' LEU . 42.8 t-20 -50.54 -45.23 56.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.009 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -65.08 -41.57 94.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.784 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -28.04 56.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.258 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.85 ' O ' HG23 ' A' ' 23' ' ' VAL . 33.9 mt -98.39 -45.46 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -49.55 -27.92 4.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.185 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.473 ' HA ' HE21 ' A' ' 21' ' ' GLN . 0.0 OUTLIER -85.0 -28.61 25.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.095 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.99 -30.82 19.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.853 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 19' ' ' LEU . 10.3 t -75.08 -35.09 33.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.36 -23.63 25.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.406 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -109.9 -37.86 5.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.181 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.727 HD22 ' HA ' ' B' ' 27' ' ' ARG . 18.2 mt -59.62 -45.85 90.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.103 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.626 ' HG2' HG12 ' A' ' 23' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 0.0 110.966 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.429 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 34.3 mt-30 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.909 0.385 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.02 -29.76 44.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.144 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.868 HD23 ' HD3' ' B' ' 8' ' ' ARG . 11.9 mt -113.46 -40.73 3.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.794 0.806 . . . . 0.0 109.875 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.692 ' HB2' HD13 ' A' ' 5' ' ' LEU . 8.5 ttpt -57.23 -35.55 69.82 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.413 -1.267 . . . . 0.0 111.33 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.432 ' HD2' ' HG2' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -90.05 -16.94 28.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.613 -179.459 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.868 ' HD3' HD23 ' B' ' 5' ' ' LEU . 0.6 OUTLIER -88.43 -17.76 29.76 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.539 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.75 HG23 ' O ' ' B' ' 5' ' ' LEU . 84.5 t -63.02 -48.44 87.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.804 0.335 . . . . 0.0 110.804 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 7.3 pt20 -49.52 -33.49 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.03 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.72 -15.22 61.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.608 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.773 HD11 HG13 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -98.48 -38.6 9.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.722 0.296 . . . . 0.0 111.139 -179.862 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.431 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -90.1 -36.35 14.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.886 -179.194 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -51.2 -41.44 60.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 111.102 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.12 -45.17 9.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.634 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.688 ' OD1' HD12 ' A' ' 19' ' ' LEU . 33.2 t30 -55.41 -45.73 76.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -52.03 -35.07 45.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.794 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.14 -42.55 55.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.084 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.918 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.9 OUTLIER -64.18 -57.71 8.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.73 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -40.9 -30.21 0.12 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.681 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.0 -41.3 18.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.6 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.765 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.32 -20.71 22.58 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.194 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.918 HG23 ' O ' ' B' ' 19' ' ' LEU . 96.1 t -45.94 -58.12 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.83 0.348 . . . . 0.0 111.331 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -30.04 67.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.35 -32.56 70.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.765 HD11 ' HD3' ' B' ' 22' ' ' LYS . 22.0 mt -72.97 -60.52 2.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.985 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.727 ' HA ' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.253 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.715 HD22 ' HD3' ' B' ' 6' ' ' LYS . 86.0 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.718 0.294 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -47.86 -29.56 3.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -82.11 -32.7 30.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.589 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.827 ' HG2' HG21 ' B' ' 9' ' ' VAL . 4.1 tt0 -53.8 -28.67 36.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.038 0.447 . . . . 0.0 110.302 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.762 HG13 HD11 ' B' ' 12' ' ' LEU . 85.1 t -83.16 -46.51 18.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.792 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.56 -31.84 71.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.146 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -63.58 1.09 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.722 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.564 HD12 HG13 ' B' ' 9' ' ' VAL . 70.9 mt -64.9 -42.27 94.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.879 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -44.02 -29.17 0.55 Allowed 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.914 0.388 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.21 -51.31 18.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.634 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.479 ' CG ' ' HA ' ' A' ' 12' ' ' LEU . 3.4 pt-20 -74.47 -47.21 34.78 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.777 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.446 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 54.6 t-20 -57.41 -20.89 32.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.766 0.317 . . . . 0.0 110.578 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -90.16 -48.56 7.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.99 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 12.8 pt20 -50.62 -26.81 5.8 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.541 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.905 ' O ' HG23 ' A' ' 23' ' ' VAL . 68.3 mt -85.08 -62.73 1.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.959 0.409 . . . . 0.0 110.104 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -30.36 1.83 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.473 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.78 -34.78 30.16 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.029 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.718 ' CD ' HD11 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -83.57 -24.48 31.53 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.057 0.456 . . . . 0.0 110.168 179.305 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 19' ' ' LEU . 57.8 t -63.85 -26.39 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.223 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.25 -21.95 61.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.366 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -108.02 -25.53 11.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.269 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.854 HD12 ' HA ' ' A' ' 23' ' ' VAL . 8.2 mt -52.86 -71.85 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.156 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.056 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.289 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.82 -14.8 0.07 Allowed 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -178.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.563 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 2.8 mt -108.93 -28.11 9.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.801 0.81 . . . . 0.0 110.068 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.715 ' HD3' HD22 ' A' ' 5' ' ' LEU . 8.5 tptt -77.69 -41.93 36.34 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.292 -1.322 . . . . 0.0 111.15 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.26 -6.4 58.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.495 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.563 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -90.16 -25.51 20.63 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.675 0.274 . . . . 0.0 111.313 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.827 HG21 ' HG2' ' A' ' 8' ' ' GLU . 45.6 t -49.31 -36.53 9.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 CA-C-O 120.764 0.316 . . . . 0.0 110.772 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.447 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -56.28 -24.38 42.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.607 179.638 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.27 -28.71 64.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.417 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.762 HD11 HG13 ' A' ' 9' ' ' VAL . 0.8 OUTLIER -82.16 -33.61 29.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.671 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.521 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -90.38 -38.36 13.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.854 -179.588 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -59.44 -35.11 73.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.062 0.458 . . . . 0.0 110.496 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.54 -35.97 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.248 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.8 ' OD1' HD12 ' A' ' 19' ' ' LEU . 22.0 t30 -69.48 -52.93 21.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.525 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -47.38 -42.82 22.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.579 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.74 -45.3 92.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.443 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.83 ' O ' HG23 ' B' ' 23' ' ' VAL . 1.1 mt -56.98 -49.2 76.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 0.0 110.406 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -43.03 -29.92 0.39 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.075 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -81.97 -51.58 7.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.588 ' HG2' ' HA ' ' B' ' 19' ' ' LEU . 15.7 ptmt -70.11 -39.05 75.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.053 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.83 HG23 ' O ' ' B' ' 19' ' ' LEU . 43.1 t -30.28 -57.46 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.192 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.641 ' HA ' ' HD3' ' B' ' 27' ' ' ARG . 3.7 pt20 -59.21 -46.92 87.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.078 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.64 -31.38 66.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.809 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.872 ' CD1' HG13 ' A' ' 23' ' ' VAL . 3.1 mt -64.51 -48.05 76.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.719 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.641 ' HD3' ' HA ' ' B' ' 24' ' ' GLN . 2.1 ptt-85 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.083 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.738 HD23 ' OE1' ' A' ' 8' ' ' GLU . 22.5 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.886 0.374 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.526 ' OE2' HD11 ' B' ' 5' ' ' LEU . 6.0 mm-40 -58.2 -39.31 78.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.47 -27.01 24.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.642 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.738 ' OE1' HD23 ' A' ' 5' ' ' LEU . 58.1 tt0 -56.28 -27.75 56.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.995 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.769 ' CG2' HG22 ' B' ' 9' ' ' VAL . 40.5 t -74.63 -57.27 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.536 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.7 -25.46 64.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.752 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -66.98 -57.27 7.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.505 HD12 HD12 ' B' ' 12' ' ' LEU . 71.3 mt -62.17 -35.72 79.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.593 ' OE2' HG12 ' A' ' 9' ' ' VAL . 32.7 mt-10 -56.74 -24.66 51.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.809 0.338 . . . . 0.0 110.785 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.03 -37.37 14.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.716 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.04 -56.85 3.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.586 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' LEU . 0.8 OUTLIER -50.58 -28.22 8.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.991 179.509 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -88.25 -21.88 24.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -85.62 9.57 15.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.762 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.901 ' O ' HG23 ' A' ' 23' ' ' VAL . 63.7 mt -127.15 -50.69 1.43 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.856 0.36 . . . . 0.0 110.411 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -48.95 -27.9 3.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.04 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.37 -28.46 18.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.779 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.11 -26.12 31.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.746 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 19' ' ' LEU . 32.6 t -70.64 -30.55 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.213 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.37 -24.61 30.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.719 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -111.08 -39.21 4.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.238 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.46 HD22 ' HB3' ' B' ' 27' ' ' ARG . 78.4 mt -57.36 -33.45 67.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.173 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.887 ' HA ' HD22 ' B' ' 26' ' ' LEU . 5.1 pt-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.24 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 121.053 0.454 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.08 -17.9 0.16 Allowed 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.699 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 2.9 mt -107.38 -41.68 5.02 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.795 0.807 . . . . 0.0 109.894 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -50.89 -53.42 32.71 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.403 -1.271 . . . . 0.0 111.267 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -26.14 62.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.652 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.699 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -71.72 -29.26 64.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.813 0.339 . . . . 0.0 110.923 -179.789 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.769 HG22 ' CG2' ' A' ' 9' ' ' VAL . 88.8 t -67.82 -32.43 56.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.572 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 84.6 mt-30 -59.3 -34.18 71.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.676 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.0 -15.7 59.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.782 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.505 HD12 HD12 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -99.11 -42.55 7.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.851 0.358 . . . . 0.0 110.965 -179.746 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.439 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -85.51 -25.15 27.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.892 -179.227 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -53.38 -48.48 68.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.874 0.368 . . . . 0.0 110.908 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 11.7 tpp180 -83.87 -43.64 15.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.474 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.587 ' OD1' HD12 ' A' ' 19' ' ' LEU . 45.9 t30 -56.55 -52.19 65.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.093 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -52.35 -36.69 54.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.68 -50.7 56.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.704 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.859 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.6 OUTLIER -65.12 -52.91 52.58 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.537 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -39.9 -30.63 0.09 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.916 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.35 -44.97 20.52 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.085 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.629 ' CG ' ' HA ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -81.93 -27.64 33.22 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.224 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.859 HG23 ' O ' ' B' ' 19' ' ' LEU . 93.7 t -47.13 -59.7 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.291 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -56.64 -37.55 70.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.66 -41.26 90.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.8 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.887 HD22 ' HA ' ' A' ' 27' ' ' GLU . 93.8 mt -60.33 -64.24 1.02 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.747 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.46 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.248 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.644 HD13 ' HB2' ' B' ' 6' ' ' LYS . 93.2 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.814 0.34 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -57.45 -49.05 77.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -26.87 42.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.004 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.537 ' HG2' HG11 ' B' ' 9' ' ' VAL . 34.6 tt0 -55.66 -28.57 56.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.899 0.38 . . . . 0.0 110.641 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.798 ' CG2' HG22 ' B' ' 9' ' ' VAL . 65.0 t -75.13 -58.47 4.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.521 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.46 -29.71 50.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -61.73 -53.91 49.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.843 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.458 HD13 ' HB3' ' B' ' 13' ' ' LYS . 47.1 mt -71.02 -29.44 65.37 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.974 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -62.61 -27.64 69.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.667 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.23 -30.86 18.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.82 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.1 -56.92 3.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.694 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' LEU . 45.1 t-20 -50.72 -28.13 8.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -89.29 -35.45 16.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.68 -24.36 65.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.526 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.864 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.7 mt -91.47 -46.98 7.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.654 0.264 . . . . 0.0 111.091 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.407 ' HG3' ' NH2' ' B' ' 15' ' ' ARG . 0.9 OUTLIER -46.24 -42.12 13.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.865 0.364 . . . . 0.0 111.275 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.76 -25.82 62.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -89.79 -28.26 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.921 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 19' ' ' LEU . 9.0 t -78.76 -31.62 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.48 -28.36 63.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.279 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -99.07 -37.77 9.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.0 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.615 HD22 ' HB3' ' B' ' 27' ' ' ARG . 20.1 mt -61.25 -41.67 97.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.954 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.572 ' HA ' HD22 ' B' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.286 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.776 0.322 . . . . 0.0 111.375 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.05 -21.48 66.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.939 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.498 HD23 ' HG2' ' B' ' 8' ' ' ARG . 9.3 mt -111.75 -48.93 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.707 0.765 . . . . 0.0 109.786 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.644 ' HB2' HD13 ' A' ' 5' ' ' LEU . 1.8 tppp? -42.7 -36.97 1.58 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.53 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.68 -31.32 36.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.241 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.498 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -71.35 -26.01 62.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.337 . . . . 0.0 111.052 -179.835 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.798 HG22 ' CG2' ' A' ' 9' ' ' VAL . 70.0 t -68.02 -40.79 83.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.73 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.556 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 48.8 mt-30 -55.74 -31.83 62.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.57 -17.47 64.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.637 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.672 HD11 HG13 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -95.17 -46.8 6.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.869 0.366 . . . . 0.0 110.864 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.458 ' HB3' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.74 -18.47 51.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.627 -179.613 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -57.41 -53.75 54.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.895 0.379 . . . . 0.0 111.029 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.689 ' HD3' HD11 ' B' ' 19' ' ' LEU . 0.0 OUTLIER -84.28 -33.13 24.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.452 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 62.1 t-20 -61.77 -50.5 72.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 110.743 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -50.16 -31.84 14.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.009 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.43 -54.17 11.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.71 ' HB3' HG21 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -66.21 -52.66 45.78 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.501 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.19 -30.17 1.12 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.15 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -81.81 -43.85 17.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.72 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.436 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.33 0.55 57.2 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.574 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.691 HG23 ' O ' ' B' ' 19' ' ' LEU . 35.5 t -49.06 -61.75 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.937 0.398 . . . . 0.0 110.872 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -62.11 -33.36 74.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.837 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.14 -29.69 70.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.759 ' CD1' HG13 ' A' ' 23' ' ' VAL . 94.8 mt -74.66 -50.1 18.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.615 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.814 HD22 ' HD3' ' B' ' 6' ' ' LYS . 6.0 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.879 0.371 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.571 ' HG2' HD13 ' B' ' 5' ' ' LEU . 7.6 mt-10 -63.15 -41.27 99.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.767 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -72.55 -31.49 65.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.673 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.529 ' HG2' HG11 ' B' ' 9' ' ' VAL . 28.8 tt0 -58.22 -24.8 60.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.941 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.466 HG22 HG22 ' B' ' 9' ' ' VAL . 87.6 t -75.08 -59.78 2.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.708 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -24.32 30.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -67.9 -56.55 8.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.852 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.497 HD12 HG13 ' B' ' 9' ' ' VAL . 47.5 mt -70.46 -30.87 67.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.961 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -59.47 -27.17 65.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.721 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.14 -37.1 14.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -80.76 -55.16 5.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.429 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 39.9 t30 -50.33 -33.99 22.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.045 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -78.1 -41.81 34.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -56.48 -34.89 67.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.31 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.912 HD12 ' OD1' ' B' ' 16' ' ' ASN . 97.4 mt -84.96 -42.56 14.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.943 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -51.84 -26.53 10.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.107 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -94.65 -26.5 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.024 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -86.52 -25.48 25.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.989 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 19' ' ' LEU . 11.1 t -85.99 -35.3 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.33 -31.29 67.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.993 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -78.68 -39.83 35.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.441 HD13 ' HB2' ' B' ' 26' ' ' LEU . 31.5 mt -65.98 -69.14 0.32 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.485 ' HB3' HD13 ' B' ' 26' ' ' LEU . 1.4 pt-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.442 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.835 0.35 . . . . 0.0 111.252 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.03 -28.37 16.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.563 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.571 HD13 ' HG2' ' A' ' 6' ' ' GLU . 10.1 mt -112.23 -49.05 2.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 109.43 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.814 ' HD3' HD22 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -45.05 -34.38 2.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.803 179.062 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -76.1 -46.22 29.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.464 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -55.46 -24.06 28.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.296 -179.844 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.529 HG11 ' HG2' ' A' ' 8' ' ' GLU . 57.7 t -62.35 -45.52 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.17 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.624 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 1.4 pp0? -52.37 -26.98 13.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.277 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.15 -11.62 60.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.758 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.471 HD12 HD12 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -99.59 -49.09 4.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.38 . . . . 0.0 110.987 -179.798 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.444 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -78.53 -19.13 53.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.719 -179.336 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.624 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -55.15 -54.94 36.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 111.152 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 tpt85 -82.19 -39.39 23.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.912 ' OD1' HD12 ' A' ' 19' ' ' LEU . 38.8 t30 -56.71 -48.88 76.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -54.84 -31.57 59.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.968 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.04 -54.84 8.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.993 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.952 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.8 OUTLIER -59.28 -53.67 55.57 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.531 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.655 ' HG3' HD11 ' A' ' 19' ' ' LEU . 3.1 ttmt -41.97 -30.38 0.27 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.468 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -85.23 -40.04 17.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.989 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.517 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.3 -18.3 25.84 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.767 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.952 HG23 ' O ' ' B' ' 19' ' ' LEU . 92.7 t -43.64 -58.99 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 120.785 0.326 . . . . 0.0 111.425 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.12 -28.72 69.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.917 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.41 -36.14 73.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.589 HD12 HG13 ' A' ' 23' ' ' VAL . 83.2 mt -67.01 -60.56 2.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.779 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.241 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.803 HD13 ' HB2' ' B' ' 6' ' ' LYS . 31.9 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.808 0.337 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.517 ' HG2' HD13 ' B' ' 5' ' ' LEU . 26.5 mt-10 -78.25 -35.16 48.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.771 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -29.43 47.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.801 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.588 ' HG2' HG11 ' B' ' 9' ' ' VAL . 52.5 tt0 -58.49 -25.78 62.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.825 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.713 HG22 HG22 ' B' ' 9' ' ' VAL . 74.0 t -73.55 -60.75 2.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.579 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.37 -26.21 11.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -68.92 -47.59 65.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.742 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.549 HD12 HG13 ' B' ' 9' ' ' VAL . 19.2 mt -83.23 -32.74 26.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -59.99 -24.45 64.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.958 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.03 -35.61 15.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.041 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HG3' HD11 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -86.17 -55.34 3.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.416 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 48.4 t30 -50.42 -29.26 9.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -86.81 -44.6 11.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -63.7 -19.81 65.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.413 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.912 ' O ' HG23 ' A' ' 23' ' ' VAL . 35.3 mt -93.65 -55.48 3.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.798 0.332 . . . . 0.0 111.088 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -46.48 -28.88 1.52 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.402 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.53 -29.78 19.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.96 -35.84 25.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 19' ' ' LEU . 9.5 t -59.74 -30.18 44.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.012 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.44 -30.5 71.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -87.36 -34.64 18.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.791 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.652 HD22 ' HB3' ' B' ' 27' ' ' ARG . 96.3 mt -58.18 -66.32 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.443 ' HB3' HD13 ' B' ' 26' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.783 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.513 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 2.9 tt0 . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 121.047 0.451 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.79 -35.64 66.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.894 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.584 ' O ' HG23 ' B' ' 9' ' ' VAL . 4.6 mt -111.52 -8.91 14.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.296 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.803 ' HB2' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -81.57 -34.24 31.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.82 -179.246 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -89.23 -19.22 25.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.29 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.559 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -74.73 -26.49 59.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.707 0.289 . . . . 0.0 111.089 -179.823 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.713 HG22 HG22 ' A' ' 9' ' ' VAL . 57.3 t -63.18 -45.85 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.229 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.662 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 2.6 pt20 -52.4 -25.53 10.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.148 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.92 -12.39 60.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.7 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.407 HD11 HG13 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -98.59 -49.56 4.58 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.875 0.369 . . . . 0.0 111.127 -179.806 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.413 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.11 -19.49 56.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.642 -179.42 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -55.61 -56.74 16.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.867 0.365 . . . . 0.0 111.182 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -82.06 -41.4 20.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.051 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.425 ' OD1' HD12 ' A' ' 19' ' ' LEU . 34.5 t-20 -54.22 -42.93 70.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -53.67 -36.5 62.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.932 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.43 -46.89 45.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.895 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.7 OUTLIER -65.86 -55.3 17.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.578 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -43.03 -29.92 0.38 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.407 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -81.75 -42.02 20.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.569 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -19.37 24.21 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.217 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.895 HG23 ' O ' ' B' ' 19' ' ' LEU . 62.1 t -45.39 -60.62 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.748 0.308 . . . . 0.0 111.3 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.438 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 9.0 mt-30 -63.17 -34.48 77.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.652 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.79 97.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.477 HD12 HG13 ' A' ' 23' ' ' VAL . 46.4 mt -61.44 -62.98 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.652 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.445 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.441 HD22 ' HD3' ' B' ' 6' ' ' LYS . 39.7 mt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.779 0.324 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.426 ' HG2' HD13 ' B' ' 5' ' ' LEU . 3.2 mt-10 -65.27 -51.57 59.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.805 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -59.53 -27.99 66.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.765 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.663 ' HG2' HG11 ' B' ' 9' ' ' VAL . 51.5 tt0 -58.06 -26.47 62.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.695 HG13 HD11 ' B' ' 12' ' ' LEU . 99.2 t -77.27 -59.07 3.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.697 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.5 -25.5 16.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.964 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.28 -48.6 77.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.665 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.445 HD13 ' N ' ' B' ' 13' ' ' LYS . 17.2 mt -83.5 -41.09 18.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.811 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -46.38 -27.56 1.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.177 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.92 -49.3 12.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.393 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.429 ' CG ' ' HA ' ' A' ' 12' ' ' LEU . 2.8 pt-20 -78.43 -46.24 20.29 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.55 -179.336 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.427 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 41.6 t30 -55.27 -31.77 61.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.851 0.357 . . . . 0.0 110.971 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -89.27 -36.65 15.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.696 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -64.14 -40.75 96.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.897 ' O ' HG23 ' A' ' 23' ' ' VAL . 37.5 mt -72.31 -45.66 59.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -47.36 -29.03 2.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.86 0.362 . . . . 0.0 111.199 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -95.73 -29.03 14.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -80.03 -25.79 40.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 19' ' ' LEU . 20.1 t -77.2 -30.54 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.72 -30.92 69.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.022 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -90.38 -30.54 17.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.454 HD22 ' CB ' ' B' ' 27' ' ' ARG . 25.0 mt -66.36 -46.54 76.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.563 ' HB3' HD22 ' B' ' 26' ' ' LEU . 1.3 pp20? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.161 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.445 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.035 0 CA-C-O 120.776 0.322 . . . . 0.0 111.342 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.41 -29.56 16.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.756 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.496 HD23 ' HG2' ' B' ' 8' ' ' ARG . 8.1 mt -112.09 -44.32 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.675 0.75 . . . . 0.0 109.923 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.445 ' HB3' ' HA ' ' B' ' 3' ' ' GLN . 13.0 ttpp -49.9 -29.4 8.18 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.296 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -89.91 -21.71 22.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.598 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.496 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -74.82 -24.43 58.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.761 0.315 . . . . 0.0 111.112 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.663 HG11 ' HG2' ' A' ' 8' ' ' GLU . 60.9 t -57.49 -49.0 81.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.218 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.57 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 3.7 pt20 -50.73 -27.34 6.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.233 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.44 -14.24 62.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.725 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.695 HD11 HG13 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -99.19 -45.96 5.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.839 0.352 . . . . 0.0 111.027 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.445 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.94 -17.24 53.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.72 -179.413 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -61.8 -59.35 5.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 111.05 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.22 -29.33 34.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.439 ' OD1' HD12 ' A' ' 19' ' ' LEU . 24.3 t30 -65.61 -46.99 77.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.949 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -54.57 -32.53 58.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.59 -45.39 75.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.883 ' O ' HG23 ' B' ' 23' ' ' VAL . 1.0 OUTLIER -65.57 -50.81 63.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.85 0.357 . . . . 0.0 110.097 179.573 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.79 -29.65 0.82 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.381 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -79.19 -41.68 27.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.672 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.601 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.25 -24.54 20.91 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -179.336 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.883 HG23 ' O ' ' B' ' 19' ' ' LEU . 54.1 t -42.74 -61.08 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.734 0.302 . . . . 0.0 111.434 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.552 ' HA ' ' HD3' ' B' ' 27' ' ' ARG . 8.1 pt20 -64.94 -15.46 62.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.276 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' B' ' 22' ' ' LYS . . . -82.93 -25.26 32.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.922 0.392 . . . . 0.0 110.59 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.739 ' CD1' HG13 ' A' ' 23' ' ' VAL . 56.4 mt -79.08 -52.05 8.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.291 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.552 ' HD3' ' HA ' ' B' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.31 -179.457 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.472 HD13 ' HB2' ' B' ' 6' ' ' LYS . 53.6 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -58.54 -55.99 27.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -25.25 66.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.091 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.49 ' HG2' HG11 ' B' ' 9' ' ' VAL . 61.7 tt0 -56.77 -28.64 61.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.815 0.34 . . . . 0.0 110.715 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.713 HG13 HD11 ' B' ' 12' ' ' LEU . 72.3 t -79.75 -55.84 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.406 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.77 -27.82 31.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.51 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -63.34 -49.27 74.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.61 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.478 HD12 HG13 ' B' ' 9' ' ' VAL . 18.8 mt -82.9 -34.72 26.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -56.67 -25.08 52.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.959 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.1 -38.26 13.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.007 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.67 -55.08 4.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' LEU . 53.9 t30 -52.89 -29.67 29.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.235 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -80.95 -43.88 19.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -60.83 -27.58 68.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.174 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.902 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.3 mt -88.94 -54.83 3.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.121 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.5 -28.09 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.494 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.72 -27.78 19.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.186 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -86.51 -33.05 20.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.082 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 19' ' ' LEU . 9.0 t -66.83 -29.89 47.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.18 -16.21 61.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.55 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -112.54 -29.1 7.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.661 0.267 . . . . 0.0 111.242 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 26' ' ' LEU . 36.4 mt -62.46 -76.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.11 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.65 ' HB3' HD13 ' B' ' 26' ' ' LEU . 2.3 pp20? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.106 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.437 ' O ' ' HD3' ' B' ' 7' ' ' LYS . 10.0 mt-30 . . . . . 0 C--O 1.23 0.031 0 CA-C-O 120.976 0.417 . . . . 0.0 111.385 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.18 -28.87 56.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.607 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.686 HD23 ' HG2' ' B' ' 8' ' ' ARG . 8.9 mt -112.35 -45.73 3.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.65 0.738 . . . . 0.0 109.809 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.472 ' HB2' HD13 ' A' ' 5' ' ' LEU . 1.1 ttpp -45.68 -36.63 5.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.625 -1.171 . . . . 0.0 111.125 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.437 ' HD3' ' O ' ' B' ' 3' ' ' GLN . 0.1 OUTLIER -84.3 -39.23 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.844 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.686 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -58.72 -25.12 62.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.658 HG22 HG22 ' A' ' 9' ' ' VAL . 58.9 t -65.98 -44.69 92.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.598 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 1.4 pp0? -53.05 -25.17 11.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.104 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.39 -5.31 44.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.742 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.713 HD11 HG13 ' A' ' 9' ' ' VAL . 0.7 OUTLIER -108.04 -48.25 3.41 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.917 0.389 . . . . 0.0 111.109 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.411 ' HB3' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -78.27 -19.11 54.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.686 -179.426 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -57.11 -48.6 78.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.824 0.345 . . . . 0.0 111.335 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -38.59 14.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.41 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 49.3 t-20 -56.67 -41.76 77.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.173 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -51.52 -37.53 49.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.059 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.81 -47.65 37.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.043 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.763 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.7 OUTLIER -64.33 -53.66 45.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.955 0.407 . . . . 0.0 110.14 179.737 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -44.89 -27.29 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.472 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.07 -43.33 11.77 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.275 -0.421 . . . . 0.0 112.007 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.688 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.11 -33.85 16.11 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.8 HG22 HG22 ' A' ' 23' ' ' VAL . 53.4 t -38.62 -63.67 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -179.261 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -55.26 -29.38 57.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.12 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' B' ' 22' ' ' LYS . . . -72.14 -38.77 69.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.085 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.688 HD11 ' HD3' ' B' ' 22' ' ' LYS . 28.5 mt -67.43 -39.88 85.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.465 -179.919 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.874 0.369 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -54.2 -44.25 71.43 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.07 -29.15 70.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.713 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.575 ' HG2' HG21 ' B' ' 9' ' ' VAL . 25.0 tt0 -58.19 -27.3 63.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.494 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.777 HG13 HD11 ' B' ' 12' ' ' LEU . 99.1 t -84.79 -48.59 16.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.155 179.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.62 -27.26 64.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.396 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -58.74 -63.56 1.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.579 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.507 HD13 ' N ' ' B' ' 13' ' ' LYS . 53.3 mt -66.96 -39.73 87.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.639 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -48.55 -28.36 3.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.869 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.24 -42.22 16.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.713 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -76.7 -57.45 3.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.525 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -49.39 -28.31 4.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.023 179.627 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -73.8 -33.29 64.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.484 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -63.21 -28.69 70.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.99 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.775 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.1 mt -92.34 -56.53 3.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -46.66 -31.41 2.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -70.74 -36.17 73.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -88.26 -27.35 21.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.445 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 19' ' ' LEU . 11.6 t -80.68 -51.18 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.465 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.23 -39.91 88.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.555 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -70.58 -43.81 68.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.585 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.733 HD13 ' HB2' ' B' ' 26' ' ' LEU . 11.7 mt -54.99 -69.5 0.13 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.208 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.714 ' HG2' HD13 ' B' ' 26' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.819 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.674 0.273 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.18 -24.69 54.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.446 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.517 ' CD2' HG21 ' A' ' 9' ' ' VAL . 4.8 mt -110.39 -44.94 3.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.718 0.771 . . . . 0.0 109.68 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.48 -45.07 25.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.471 -1.24 . . . . 0.0 111.37 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -6.51 58.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.545 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.503 ' HE ' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -89.4 -24.92 21.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.782 0.325 . . . . 0.0 111.251 -179.862 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.575 HG21 ' HG2' ' A' ' 8' ' ' GLU . 69.1 t -53.45 -46.59 59.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.61 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 12.8 pt20 -54.06 -24.33 16.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.049 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' B' ' 8' ' ' ARG . . . -73.98 -22.32 59.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.543 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.777 HD11 HG13 ' A' ' 9' ' ' VAL . 1.1 mt -89.37 -39.42 13.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.892 0.377 . . . . 0.0 110.853 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.526 ' HA ' ' HB3' ' B' ' 16' ' ' ASN . 0.0 OUTLIER -85.77 -21.08 28.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.526 -179.597 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -53.8 -46.34 71.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.015 0.436 . . . . 0.0 110.514 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.761 ' HD2' HD21 ' B' ' 19' ' ' LEU . 0.0 OUTLIER -88.35 -54.75 4.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.777 178.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.526 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 45.7 t30 -38.9 -33.51 0.12 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.655 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -67.67 -66.8 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.961 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.49 -54.38 37.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.068 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.945 ' O ' HG23 ' B' ' 23' ' ' VAL . 10.9 mt -48.67 -51.12 30.08 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.704 0.288 . . . . 0.0 110.634 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.597 ' CD ' HD11 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -41.57 -32.7 0.38 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.313 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -87.63 -41.12 13.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.139 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.505 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.55 -4.93 56.54 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.567 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.945 HG23 ' O ' ' B' ' 19' ' ' LEU . 59.1 t -49.15 -52.42 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.714 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.419 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 3.5 pt20 -69.69 -29.23 66.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.702 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.9 -32.95 74.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.774 ' CD1' HG13 ' A' ' 23' ' ' VAL . 19.1 mt -67.91 -55.01 14.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.5 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.427 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.66 HD13 ' HB2' ' B' ' 6' ' ' LYS . 40.4 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.816 0.341 . . . . 0.0 110.66 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -58.81 -33.87 70.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.605 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -80.51 -27.7 37.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.505 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.571 ' HG2' HG11 ' B' ' 9' ' ' VAL . 60.3 tt0 -55.81 -28.32 55.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.662 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.578 HG13 HD11 ' B' ' 12' ' ' LEU . 96.0 t -75.64 -55.34 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.557 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.07 -26.83 61.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.629 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -64.94 -57.67 8.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.655 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.603 HD12 HG13 ' B' ' 9' ' ' VAL . 42.2 mt -68.86 -31.41 70.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.793 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -58.62 -28.25 65.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.595 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.16 -39.24 12.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.68 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -77.46 -57.02 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.667 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 12' ' ' LEU . 44.5 t30 -50.65 -32.47 19.2 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -83.31 -28.55 28.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -74.67 -26.37 59.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.164 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.89 ' O ' HG23 ' A' ' 23' ' ' VAL . 48.7 mt -95.77 -51.68 4.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.113 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -48.43 -28.88 3.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 111.074 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -28.4 21.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.49 -38.27 20.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.879 0.371 . . . . 0.0 110.833 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 19' ' ' LEU . 5.4 t -63.52 -31.15 51.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.724 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.46 -13.04 61.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.202 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.65 -2.92 11.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.322 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.0 mt -97.54 -52.95 3.6 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 120.677 0.275 . . . . 0.0 111.58 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.541 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.139 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.448 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 16.9 pt20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.9 0.381 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.88 -26.89 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.846 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.422 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 10.4 mt -112.39 -46.97 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.659 0.742 . . . . 0.0 109.684 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.66 ' HB2' HD13 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -49.03 -30.98 6.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.508 -1.223 . . . . 0.0 110.879 179.301 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.411 ' HD2' ' O ' ' B' ' 3' ' ' GLN . 0.6 OUTLIER -81.28 -27.08 35.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.196 -179.895 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.422 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -76.07 -25.57 55.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.757 0.313 . . . . 0.0 110.892 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.603 HG13 HD12 ' A' ' 12' ' ' LEU . 59.7 t -62.16 -30.04 47.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.581 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 3.0 pp0? -60.21 -21.06 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.985 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.25 6.37 19.8 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.783 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.578 HD11 HG13 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -121.52 -39.94 2.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.772 0.32 . . . . 0.0 110.877 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.401 ' HA ' ' HB3' ' B' ' 16' ' ' ASN . 0.0 OUTLIER -88.87 -21.4 23.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.444 -179.775 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -53.63 -58.53 6.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.878 0.371 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -41.53 59.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.401 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 58.4 t-20 -56.89 -49.59 75.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.023 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -48.5 -39.37 22.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.081 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.43 -48.85 66.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.939 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.6 OUTLIER -67.21 -52.77 37.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 109.982 179.72 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -42.05 -30.5 0.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.62 -39.79 36.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.315 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.564 ' HG2' ' HA ' ' B' ' 19' ' ' LEU . 13.6 ptmt -88.19 -41.22 13.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.944 -179.077 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.939 HG23 ' O ' ' B' ' 19' ' ' LEU . 39.8 t -31.29 -56.3 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -60.01 -46.02 90.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' B' ' 22' ' ' LYS . . . -58.83 -38.81 79.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.541 HD22 ' HB3' ' A' ' 27' ' ' GLU . 23.7 mt -66.59 -58.32 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.603 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.509 HD22 ' HA ' ' B' ' 6' ' ' LYS . 15.8 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.764 0.316 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.858 ' HG2' HD13 ' B' ' 5' ' ' LEU . 2.9 mt-10 -62.16 -46.59 88.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -63.27 -36.84 85.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.715 ' HG2' HG11 ' B' ' 9' ' ' VAL . 1.5 tt0 -63.07 -19.26 64.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.097 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.603 HG22 HG22 ' B' ' 9' ' ' VAL . 77.3 t -77.21 -59.96 2.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.766 0.317 . . . . 0.0 110.544 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.16 -26.38 50.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.74 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -64.61 -45.87 85.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.64 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 19.9 mt -86.42 -32.5 20.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.032 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -59.67 -23.96 63.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.138 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.17 -34.14 15.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.184 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -89.43 -53.28 4.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 12' ' ' LEU . 48.3 t30 -49.55 -30.14 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.283 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -85.06 -30.87 23.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.101 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -70.04 -31.25 68.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.351 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.799 ' O ' HG23 ' A' ' 23' ' ' VAL . 52.8 mt -87.0 -38.46 16.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.093 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -53.8 -25.98 21.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.123 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -95.68 -24.61 16.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.134 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -89.96 -23.1 21.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.228 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.809 HG21 ' HB3' ' B' ' 19' ' ' LEU . 15.9 t -90.02 -28.22 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.265 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.64 -26.0 20.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.516 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -104.46 -40.05 6.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.136 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.433 ' HB3' ' CB ' ' B' ' 26' ' ' LEU . 80.2 mt -59.17 -33.25 70.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.871 ' HA ' HD22 ' B' ' 26' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.919 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 121.23 0.538 . . . . 0.0 112.031 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.31 -17.35 7.48 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.765 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.858 HD13 ' HG2' ' A' ' 6' ' ' GLU . 10.7 mt -105.45 -11.29 16.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.459 0.647 . . . . 0.0 110.323 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.509 ' HA ' HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -89.78 -70.55 0.66 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.993 -179.193 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.4 -26.19 40.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.948 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.738 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -64.6 -31.6 72.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.944 -179.813 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.715 HG11 ' HG2' ' A' ' 8' ' ' GLU . 99.6 t -61.78 -48.93 86.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.539 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.699 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 1.9 mt-30 -55.54 -24.28 31.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.777 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.43 -20.65 54.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.465 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.454 HD12 HD12 ' A' ' 12' ' ' LEU . 0.7 OUTLIER -87.75 -47.64 8.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.094 0.473 . . . . 0.0 110.38 179.827 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.74 -23.22 49.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.593 -179.508 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -53.25 -58.48 6.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.92 0.39 . . . . 0.0 110.861 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.416 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 3.3 tpt180 -74.84 -49.61 19.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.468 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.578 ' OD1' HD12 ' A' ' 19' ' ' LEU . 38.8 t-20 -49.6 -52.52 29.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.2 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -51.29 -40.7 59.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.944 0.402 . . . . 0.0 110.714 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.42 -48.94 73.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.608 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.952 ' O ' HG23 ' B' ' 23' ' ' VAL . 1.3 mt -61.3 -56.44 20.49 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.272 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.422 ' HD3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -39.17 -31.2 0.07 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.683 179.539 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -83.17 -41.75 18.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.878 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.543 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.1 OUTLIER -90.31 -23.73 21.07 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.716 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.952 HG23 ' O ' ' B' ' 19' ' ' LEU . 65.8 t -41.38 -66.78 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 120.72 0.295 . . . . 0.0 111.388 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -57.89 -31.05 66.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.711 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' B' ' 22' ' ' LYS . . . -66.61 -39.87 88.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.749 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.871 HD22 ' HA ' ' A' ' 27' ' ' GLU . 76.7 mt -60.6 -64.1 1.07 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.525 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.077 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.619 HD22 ' CD ' ' B' ' 6' ' ' LYS . 13.8 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.86 0.362 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.486 ' HG2' HD13 ' B' ' 5' ' ' LEU . 2.5 mt-10 -61.14 -66.37 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.723 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.7 -21.77 30.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.949 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 50.8 tt0 -57.63 -31.08 65.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.88 0.371 . . . . 0.0 110.2 179.247 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.595 HG13 HD11 ' B' ' 12' ' ' LEU . 12.4 t -78.83 -48.54 21.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.933 178.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.85 -30.38 5.73 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 121.324 0.583 . . . . 0.0 109.614 178.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.24 -73.9 0.12 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.48 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.021 HD12 HD12 ' B' ' 12' ' ' LEU . 0.6 OUTLIER -38.36 -61.47 0.68 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.368 179.318 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.806 ' HG3' HD13 ' B' ' 12' ' ' LEU . 50.6 mt-10 -52.58 -30.01 28.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.349 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.49 -36.75 16.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.168 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -90.14 -53.99 4.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.827 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.632 ' N ' ' O ' ' A' ' 12' ' ' LEU . 52.5 t-20 -47.94 -28.71 2.85 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.795 0.331 . . . . 0.0 110.907 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -80.67 -45.87 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.18 -41.96 60.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.891 ' O ' HG23 ' A' ' 23' ' ' VAL . 94.6 mt -73.59 -51.47 16.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.655 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -49.23 -28.24 4.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.24 -28.64 27.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -89.4 -29.56 18.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 19' ' ' LEU . 10.3 t -75.04 -27.81 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.135 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.25 -26.9 53.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.3 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -95.74 -33.15 12.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.953 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' A' ' 23' ' ' VAL . 50.3 mt -59.61 -69.22 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.948 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.585 ' HB3' HD22 ' B' ' 26' ' ' LEU . 7.9 pt-20 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.478 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 8.5 pt20 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.698 0.285 . . . . 0.0 111.378 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.77 -29.93 42.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.68 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.486 HD13 ' HG2' ' A' ' 6' ' ' GLU . 8.5 mt -110.01 -43.45 3.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.686 0.755 . . . . 0.0 109.637 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.619 ' CD ' HD22 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -51.69 -44.4 63.12 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.352 -1.295 . . . . 0.0 111.242 179.601 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -76.55 -24.52 53.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.328 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.49 ' CD ' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -68.71 -25.63 64.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.107 -179.771 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 1.005 HG13 HD11 ' A' ' 12' ' ' LEU . 77.1 t -58.0 -31.82 42.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-O 121.132 0.491 . . . . 0.0 109.876 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.788 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 41.2 mt-30 -66.48 -12.51 57.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.934 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -91.26 -31.87 15.96 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 1.021 HD12 HD12 ' A' ' 12' ' ' LEU . 1.1 mt -91.41 -85.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.674 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.79 ' CD ' HD22 ' A' ' 12' ' ' LEU . 8.1 tptt -43.0 -29.62 0.35 Allowed 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 123.435 0.694 . . . . 0.0 112.753 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.788 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -43.07 -38.51 2.38 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 121.295 0.569 . . . . 0.0 110.634 -177.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.802 ' CD ' HD11 ' B' ' 19' ' ' LEU . 5.1 tmm_? -90.34 -30.15 17.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.175 178.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.634 ' OD1' HD12 ' A' ' 19' ' ' LEU . 63.9 t-20 -60.7 -50.93 71.51 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.938 0.399 . . . . 0.0 111.091 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -53.61 -30.3 41.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.273 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.51 -55.44 5.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.282 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.802 HD11 ' CD ' ' B' ' 15' ' ' ARG . 1.1 mt -58.74 -52.32 66.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.791 0.329 . . . . 0.0 110.188 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.51 ' CD ' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -44.5 -29.34 0.69 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.597 179.741 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -86.01 -40.11 16.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.854 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.471 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.46 -5.56 55.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -178.823 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.7 HG23 ' O ' ' B' ' 19' ' ' LEU . 19.7 t -43.54 -65.53 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-O 120.748 0.309 . . . . 0.0 111.356 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -67.69 -32.1 72.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.601 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.429 ' HB3' ' HA ' ' B' ' 22' ' ' LYS . . . -62.14 -31.73 72.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.68 HD12 HG13 ' A' ' 23' ' ' VAL . 22.8 mt -69.54 -63.6 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.745 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.443 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.192 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.816 HD13 ' N ' ' B' ' 6' ' ' LYS . 10.5 mt . . . . . 0 C--O 1.231 0.114 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -45.94 67.13 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.95 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 1.3 mptt -66.96 -26.72 66.96 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.251 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.433 ' HG2' HG11 ' B' ' 9' ' ' VAL . 1.5 tt0 -71.11 -21.76 62.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.988 178.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.903 HG21 ' NE ' ' B' ' 8' ' ' ARG . 43.8 t -76.36 -59.25 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.331 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.7 -29.34 17.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.981 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.27 -56.46 20.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.457 179.238 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.572 HD12 HG13 ' B' ' 9' ' ' VAL . 61.2 mt -70.37 -31.57 68.87 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.866 0.365 . . . . 0.0 110.696 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -59.72 -25.72 65.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.662 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.04 -35.8 15.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.766 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -82.97 -57.78 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.591 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 12' ' ' LEU . 37.9 t30 -47.71 -31.05 4.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -82.75 -39.64 21.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.834 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.98 -27.84 68.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.246 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.885 ' O ' HG23 ' A' ' 23' ' ' VAL . 62.0 mt -90.37 -52.34 4.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.161 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -47.7 -28.34 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 111.35 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.45 -28.5 16.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.154 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.06 -33.54 24.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.995 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 19' ' ' LEU . 22.1 t -62.86 -32.9 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.033 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.65 -27.7 68.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.035 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -93.24 -34.33 13.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 23' ' ' VAL . 63.2 mt -57.63 -57.2 13.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.55 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.559 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.303 0 CA-C-O 121.4 0.619 . . . . 0.0 110.309 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -45.91 -50.51 14.47 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.419 177.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.744 ' O ' HG23 ' B' ' 9' ' ' VAL . 5.9 mt -123.22 -9.18 8.14 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.243 -1.799 . . . . 0.0 108.709 177.15 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.816 ' N ' HD13 ' A' ' 5' ' ' LEU . 8.7 ttpp -81.1 -20.92 40.42 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.363 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.421 ' HB3' ' CG ' ' B' ' 3' ' ' GLN . 2.0 ptmt -78.89 -20.48 49.36 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 177.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.903 ' NE ' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -90.05 -30.13 17.93 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.119 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.774 HG22 HG22 ' A' ' 9' ' ' VAL . 91.6 t -63.81 -31.31 52.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.599 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.651 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 4.5 mt-30 -59.74 -21.82 61.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.053 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.7 2.67 25.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.947 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.785 HD11 HG13 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -113.93 -50.43 2.83 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.897 0.379 . . . . 0.0 110.822 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.427 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -78.94 -19.09 52.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.596 -179.652 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -55.82 -62.33 1.77 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.898 0.38 . . . . 0.0 111.035 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -71.05 -39.11 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.767 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.884 ' OD1' HD12 ' A' ' 19' ' ' LEU . 41.4 t-20 -60.43 -43.1 97.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.955 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -52.17 -36.87 52.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.142 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.05 -49.67 48.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.863 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.9 OUTLIER -65.67 -51.58 58.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.837 0.351 . . . . 0.0 110.091 179.623 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.63 ' HG3' HD11 ' A' ' 19' ' ' LEU . 5.5 tttm -45.76 -29.72 1.4 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.287 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.87 -42.37 21.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.634 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -14.49 33.4 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.144 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.863 HG23 ' O ' ' B' ' 19' ' ' LEU . 42.5 t -46.82 -67.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.798 0.332 . . . . 0.0 111.187 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -59.78 -29.12 67.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.867 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.67 -38.87 84.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.028 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.55 HD22 ' HB3' ' A' ' 27' ' ' GLU . 39.1 mt -62.58 -61.0 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.527 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.686 HD13 ' HB2' ' B' ' 6' ' ' LYS . 46.6 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -62.89 -39.86 95.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -75.17 -30.55 60.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.748 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.691 ' HG2' HG11 ' B' ' 9' ' ' VAL . 28.3 tt0 -58.63 -25.4 62.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.719 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.616 HG13 HD11 ' B' ' 12' ' ' LEU . 93.8 t -81.53 -55.03 8.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.416 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.82 -25.95 21.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.652 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -65.08 -47.58 76.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.424 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.452 HD12 HG13 ' B' ' 9' ' ' VAL . 19.6 mt -85.99 -48.47 8.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.693 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -46.83 -28.67 1.64 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.225 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.66 -31.51 22.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.096 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.444 ' OE2' HD11 ' A' ' 19' ' ' LEU . 5.7 tm-20 -90.06 -56.41 3.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' LEU . 40.2 t30 -49.63 -44.58 47.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.202 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -67.63 -41.99 83.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.98 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -59.79 -32.2 70.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.86 ' O ' HG23 ' A' ' 23' ' ' VAL . 68.8 mt -89.64 -45.81 9.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.09 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -47.01 -28.73 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.339 . . . . 0.0 111.263 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.0 tp60 -94.41 -31.02 14.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.409 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -79.69 -26.2 41.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.749 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 19' ' ' LEU . 25.1 t -75.77 -26.44 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.147 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.77 -16.93 60.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.552 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -111.89 -34.15 6.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.603 0.239 . . . . 0.0 111.309 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.544 HD22 ' HB3' ' B' ' 27' ' ' ARG . 50.5 mt -55.18 -49.53 71.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.271 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.473 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 0.4 OUTLIER . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.667 0.27 . . . . 0.0 111.337 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' B' ' 3' ' ' GLN . . . -56.71 -29.59 62.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.378 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.705 HD23 ' HG2' ' B' ' 8' ' ' ARG . 10.0 mt -111.13 -44.52 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.711 0.767 . . . . 0.0 109.762 179.386 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.686 ' HB2' HD13 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -48.11 -35.05 10.73 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.368 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -90.04 -28.71 18.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.427 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.705 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -65.65 -27.44 68.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.722 0.296 . . . . 0.0 110.987 -179.84 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.691 HG11 ' HG2' ' A' ' 8' ' ' GLU . 54.7 t -59.05 -41.49 83.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.509 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 30.5 mt-30 -57.59 -22.31 44.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.025 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.97 2.03 40.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.815 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.616 HD11 HG13 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -114.6 -37.8 4.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.833 0.349 . . . . 0.0 110.84 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.41 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -90.1 -21.92 22.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.462 -179.498 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -59.72 -51.8 68.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -83.88 -33.94 24.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.984 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -63.22 -47.32 83.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -48.87 -30.3 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.141 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.76 -53.18 8.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.899 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.744 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.8 OUTLIER -63.73 -51.72 63.67 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.478 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.407 ' HG3' HD11 ' A' ' 19' ' ' LEU . 2.4 tttt -44.42 -29.61 0.72 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.201 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -85.58 -39.56 17.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.693 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.418 ' CG ' ' HA ' ' B' ' 19' ' ' LEU . 0.2 OUTLIER -90.45 -5.04 56.56 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.848 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.744 HG23 ' O ' ' B' ' 19' ' ' LEU . 21.5 t -47.66 -66.87 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.192 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -62.6 -36.42 82.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.835 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.17 -27.45 63.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.415 HD22 ' HB3' ' A' ' 27' ' ' GLU . 20.5 mt -78.37 -55.47 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.935 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.544 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.295 -179.739 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.557 HD13 ' HB2' ' B' ' 6' ' ' LYS . 88.7 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.77 0.319 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.759 ' HA ' HD13 ' B' ' 5' ' ' LEU . 1.1 mt-10 -57.86 -74.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.573 179.701 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -23.92 44.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.783 179.706 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.683 ' HG2' HG11 ' B' ' 9' ' ' VAL . 5.4 tt0 -58.12 -28.62 64.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.875 0.369 . . . . 0.0 110.503 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.701 HG22 HG22 ' B' ' 9' ' ' VAL . 79.6 t -72.89 -57.56 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.448 179.592 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.77 -26.3 33.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.652 179.441 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -53.94 32.2 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.54 179.642 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.461 ' CB ' ' HB2' ' B' ' 12' ' ' LEU . 46.9 mt -73.43 -31.11 63.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.733 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -60.45 -25.71 66.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.827 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.86 -36.72 14.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.98 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.08 -54.64 5.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.767 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.422 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 38.8 t30 -51.81 -31.05 25.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.001 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -77.28 -41.82 39.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -56.91 -26.2 58.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.316 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.89 ' O ' HG23 ' A' ' 23' ' ' VAL . 53.4 mt -95.7 -47.2 6.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.979 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -48.81 -27.77 3.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.332 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -93.4 -29.35 15.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -83.03 -25.91 31.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.028 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 19' ' ' LEU . 21.4 t -77.03 -32.08 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.61 -34.18 72.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.003 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -80.18 -38.95 30.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.489 HD13 ' HB2' ' B' ' 26' ' ' LEU . 40.2 mt -60.17 -66.86 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.516 ' HB3' HD22 ' B' ' 26' ' ' LEU . 19.3 pt-20 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.467 ' HG2' ' N ' ' B' ' 4' ' ' ALA . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.082 0 CA-C-O 120.646 0.26 . . . . 0.0 111.599 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.467 ' N ' ' HG2' ' B' ' 3' ' ' GLN . . . -63.49 -25.55 68.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.749 0.309 . . . . 0.0 111.428 -179.816 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.759 HD13 ' HA ' ' A' ' 6' ' ' GLU . 12.1 mt -110.87 -48.4 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.731 0.777 . . . . 0.0 109.643 179.254 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.557 ' HB2' HD13 ' A' ' 5' ' ' LEU . 9.4 ttpp -45.12 -41.85 8.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.442 -1.254 . . . . 0.0 110.997 179.142 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.423 ' HD3' ' O ' ' B' ' 3' ' ' GLN . 10.8 mtpt -71.7 -38.83 70.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.605 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -70.34 -26.89 63.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.314 -179.694 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 9' ' ' VAL . 89.4 t -67.6 -50.65 59.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.776 0.322 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.526 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 1.2 pt20 -50.34 -29.01 8.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.013 -179.881 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.53 -18.98 63.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.578 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.555 HD11 HG13 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -92.41 -41.43 10.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.884 0.373 . . . . 0.0 110.932 -179.912 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -85.5 -25.93 26.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.719 -179.424 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -54.09 -53.48 52.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.964 0.411 . . . . 0.0 110.958 179.796 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.637 ' HG3' HD21 ' B' ' 19' ' ' LEU . 2.9 tpt85 -80.41 -45.29 17.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.589 179.622 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.604 ' OD1' HD12 ' A' ' 19' ' ' LEU . 49.7 t-20 -53.59 -51.02 64.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.021 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -53.56 -29.02 35.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.669 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.33 -44.81 24.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.019 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.925 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.7 OUTLIER -63.76 -56.39 15.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 179.694 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.456 ' HG3' HD11 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -42.8 -28.67 0.26 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.663 179.733 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -86.72 -39.66 15.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.76 -179.568 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.557 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.1 OUTLIER -90.29 -20.8 22.52 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.047 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.925 HG23 ' O ' ' B' ' 19' ' ' LEU . 73.4 t -42.04 -43.31 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 120.764 0.316 . . . . 0.0 111.378 -179.419 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.411 ' HA ' ' HD3' ' B' ' 27' ' ' ARG . 28.7 pt20 -74.17 -34.17 63.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.696 179.662 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.43 -30.25 71.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.953 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.865 ' CD1' HG13 ' A' ' 23' ' ' VAL . 36.1 mt -72.38 -63.49 1.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.798 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.411 ' HD3' ' HA ' ' B' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.449 -179.883 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.772 HD22 ' HA ' ' B' ' 6' ' ' LYS . 6.6 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.839 0.352 . . . . 0.0 110.671 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.655 ' HG2' HD13 ' B' ' 5' ' ' LEU . 3.9 mt-10 -60.54 -37.97 82.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -87.85 -27.96 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.745 ' HG2' HG11 ' B' ' 9' ' ' VAL . 3.4 tt0 -59.36 -25.35 64.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.125 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.673 HG11 ' NH2' ' B' ' 8' ' ' ARG . 69.7 t -74.91 -59.06 3.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.835 0.35 . . . . 0.0 110.49 179.534 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.59 -26.28 21.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.685 179.397 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -65.53 -50.95 63.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.565 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 32.5 mt -78.51 -30.98 47.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.729 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.622 ' OE1' HG12 ' A' ' 9' ' ' VAL . 26.6 mt-10 -59.85 -27.03 66.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.731 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.92 -37.34 14.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -80.36 -54.82 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.681 179.777 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.406 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 0.9 OUTLIER -52.46 -31.76 36.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.992 179.717 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -73.79 -42.46 60.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -24.85 53.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.419 -179.622 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.871 ' O ' HG23 ' A' ' 23' ' ' VAL . 44.4 mt -97.79 -48.76 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.067 -179.751 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -49.21 -28.51 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.206 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.26 -30.37 20.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.1 -179.906 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -83.27 -37.52 23.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 19' ' ' LEU . 10.9 t -64.6 -39.59 86.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.071 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.63 -27.15 64.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.231 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -97.3 -40.37 8.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 35.7 mt -59.41 -68.75 0.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.499 ' HB3' HD22 ' B' ' 26' ' ' LEU . 1.1 pt-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.523 ' HA ' ' HE3' ' B' ' 7' ' ' LYS . 14.7 pt20 . . . . . 0 N--CA 1.46 0.073 0 CA-C-O 120.836 0.351 . . . . 0.0 111.423 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.87 -25.31 61.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.263 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.712 HD23 ' HD3' ' B' ' 8' ' ' ARG . 2.9 mt -111.42 -48.84 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.677 0.751 . . . . 0.0 109.536 179.589 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.772 ' HA ' HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -43.72 -32.09 0.94 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.255 179.185 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.523 ' HE3' ' HA ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -90.11 -31.32 17.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.334 -179.693 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.712 ' HD3' HD23 ' B' ' 5' ' ' LEU . 0.1 OUTLIER -73.3 -16.29 61.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.256 -179.715 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.745 HG11 ' HG2' ' A' ' 8' ' ' GLU . 98.7 t -74.64 -51.97 20.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.867 0.365 . . . . 0.0 110.474 179.313 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.531 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 0.2 OUTLIER -49.63 -29.77 7.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.093 -179.779 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.71 -20.55 65.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.516 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.585 HD11 HG13 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -91.05 -44.79 9.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.95 0.405 . . . . 0.0 110.812 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -80.71 -24.68 38.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.53 -179.55 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -54.06 -53.15 57.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.845 0.355 . . . . 0.0 110.953 179.853 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.471 ' HG3' HD21 ' B' ' 19' ' ' LEU . 16.9 tpp180 -82.79 -41.34 19.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.595 179.76 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.793 ' OD1' HD12 ' A' ' 19' ' ' LEU . 49.0 t30 -55.05 -49.2 72.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -51.55 -32.47 28.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.728 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.38 -44.67 35.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.05 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.856 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.8 OUTLIER -62.47 -56.8 14.66 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.698 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.73 -28.86 0.16 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.695 179.857 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -85.19 -41.23 15.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.692 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.655 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.28 -32.36 16.56 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.105 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.856 HG23 ' O ' ' B' ' 19' ' ' LEU . 86.0 t -38.93 -58.0 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 120.715 0.293 . . . . 0.0 111.722 -179.338 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.431 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 2.5 pt20 -61.65 -34.63 76.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.96 -43.14 93.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.093 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.655 HD11 ' HD3' ' B' ' 22' ' ' LYS . 56.7 mt -60.23 -60.83 3.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.431 ' CD ' ' HA ' ' B' ' 24' ' ' GLN . 2.2 ptt180 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.605 HD22 ' HD3' ' B' ' 6' ' ' LYS . 18.2 mt . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.768 0.318 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -76.98 -60.74 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.651 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -60.6 -29.85 69.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.777 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.685 ' HG2' HG11 ' B' ' 9' ' ' VAL . 3.9 tt0 -55.63 -27.27 48.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.783 ' CG2' HG22 ' B' ' 9' ' ' VAL . 75.7 t -71.31 -56.65 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.425 179.537 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.65 -27.31 62.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.043 0.449 . . . . 0.0 110.404 179.33 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -50.27 52.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.684 179.65 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.565 HD12 HG13 ' B' ' 9' ' ' VAL . 21.5 mt -78.69 -34.71 45.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.882 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -59.97 -27.53 66.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.889 0.376 . . . . 0.0 110.563 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.04 -36.11 15.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.818 179.541 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -82.38 -57.02 3.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.728 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 12' ' ' LEU . 45.0 t30 -50.97 -35.29 32.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 179.661 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.401 ' CE1' ' OE1' ' A' ' 21' ' ' GLN . 35.4 t80 -74.9 -43.91 51.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.047 -179.89 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -42.52 85.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 -179.765 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.768 ' O ' HG23 ' A' ' 23' ' ' VAL . 10.8 mt -75.21 -50.03 17.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.066 -179.776 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -46.54 -28.85 1.55 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.897 0.38 . . . . 0.0 111.256 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.401 ' OE1' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -83.88 -34.86 24.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.975 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -81.76 -39.36 24.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.761 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 19' ' ' LEU . 16.3 t -62.18 -36.96 77.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.03 -25.67 63.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.113 179.818 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -101.88 -30.02 11.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.607 HD22 ' HB3' ' B' ' 27' ' ' ARG . 19.6 mt -63.53 -47.14 82.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.502 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.65 0.262 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.63 -28.91 68.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.783 0.325 . . . . 0.0 111.463 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.602 HD23 ' HG2' ' B' ' 8' ' ' ARG . 9.4 mt -110.96 -42.7 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.561 0.696 . . . . 0.0 109.831 179.491 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.605 ' HD3' HD22 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -47.05 -30.11 2.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.176 179.54 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.53 -23.91 31.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.354 -179.784 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.602 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -83.13 -26.13 31.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.227 -179.824 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.783 HG22 ' CG2' ' A' ' 9' ' ' VAL . 64.2 t -65.95 -37.27 79.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.621 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -57.75 -21.09 39.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.143 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.52 4.92 25.93 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.843 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.426 HD12 HD12 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -116.75 -50.91 2.59 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.87 0.366 . . . . 0.0 110.745 179.924 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -76.88 -19.97 56.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.423 -179.659 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -56.52 -56.68 18.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 111.158 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -80.88 -38.93 27.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.4 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 58.2 t-20 -55.54 -48.13 75.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.05 -179.92 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -51.12 -30.71 17.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.092 -179.826 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.02 -50.04 12.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.748 ' HB3' HG21 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -64.87 -52.65 55.45 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.589 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.56 -28.83 1.03 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.37 179.718 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -40.59 15.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.676 -179.513 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.454 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.4 -4.02 57.32 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.779 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.711 HG23 ' O ' ' B' ' 19' ' ' LEU . 21.7 t -45.09 -61.47 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 120.835 0.35 . . . . 0.0 111.261 -179.507 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.419 ' HA ' ' CG ' ' B' ' 27' ' ' ARG . 65.9 mt-30 -61.81 -44.81 96.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.78 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.33 -30.61 12.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.26 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.521 ' CD1' HG13 ' A' ' 23' ' ' VAL . 60.1 mt -78.77 -60.85 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.607 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.305 -179.742 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.752 HD21 ' HB2' ' B' ' 6' ' ' LYS . 15.7 mt . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.793 0.33 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.0 -32.04 3.64 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.452 0.644 . . . . 0.0 110.15 179.797 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -77.18 -33.61 56.42 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.782 -179.899 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.621 ' HG2' HG21 ' B' ' 9' ' ' VAL . 2.4 tt0 -67.04 -22.51 65.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.882 178.187 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.755 HG12 ' CD ' ' A' ' 13' ' ' GLU . 94.7 t -81.62 -49.04 18.22 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.723 179.154 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.3 -24.4 43.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.998 178.733 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -56.23 -61.94 2.05 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.21 179.373 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.671 HD12 HD12 ' B' ' 12' ' ' LEU . 13.4 mt -70.77 -52.13 22.63 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 120.471 -0.492 . . . . 0.0 109.961 178.875 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.755 ' CD ' HG12 ' A' ' 9' ' ' VAL . 71.4 mt-10 -34.38 -35.56 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.335 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -64.58 -55.91 17.35 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.417 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' LEU . 2.7 pt-20 -79.04 -43.86 23.39 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.252 178.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.56 ' OD1' ' CB ' ' B' ' 16' ' ' ASN . 0.8 OUTLIER -50.66 -27.78 7.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.96 179.146 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -82.79 -22.69 34.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.696 179.604 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -77.59 0.18 24.07 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.483 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.808 ' O ' HG23 ' A' ' 23' ' ' VAL . 31.5 mt -124.69 -58.95 1.47 Allowed 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.0 109.997 179.536 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -28.4 32.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.084 179.534 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.15 -32.48 10.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.814 179.809 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -77.3 -27.64 53.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.641 179.704 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.015 HG13 HD13 ' B' ' 26' ' ' LEU . 45.8 t -62.55 -44.04 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.172 179.438 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.12 -24.3 25.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.441 179.903 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -104.0 -32.14 9.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.195 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 23' ' ' VAL . 6.4 mt -55.17 -54.73 39.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.024 0.44 . . . . 0.0 111.475 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.64 -178.876 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.567 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 5.1 mt-30 . . . . . 0 N--CA 1.47 0.559 0 CA-C-O 121.421 0.629 . . . . 0.0 111.845 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.66 -48.14 69.7 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 122.482 1.134 . . . . 0.0 108.128 177.6 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.641 ' O ' HG23 ' B' ' 9' ' ' VAL . 2.7 mt -127.14 -4.84 6.17 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 112.843 -1.98 . . . . 0.0 108.821 177.442 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.752 ' HB2' HD21 ' A' ' 5' ' ' LEU . 7.4 ttpp -84.38 -17.14 40.34 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.152 -179.765 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.465 ' HB3' ' HB3' ' B' ' 3' ' ' GLN . 15.8 ptmt -90.1 -17.42 27.75 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.965 177.667 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.586 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -90.17 -33.73 16.11 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.358 -179.013 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.641 HG23 ' O ' ' B' ' 5' ' ' LEU . 94.9 t -46.39 -46.67 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 120.691 0.281 . . . . 0.0 111.147 -179.523 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.607 ' O ' ' HB3' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -50.5 -31.9 16.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.074 0.464 . . . . 0.0 110.058 179.494 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' B' ' 8' ' ' ARG . . . -60.16 -19.91 56.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.31 179.539 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.676 HD11 HG13 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -95.88 -53.48 3.67 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.865 0.364 . . . . 0.0 110.371 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.51 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.35 -44.72 28.43 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -178.78 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' B' ' 10' ' ' GLN . . . -53.95 -38.06 64.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.683 0.277 . . . . 0.0 111.569 -179.319 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 12.8 tpp85 -90.11 -34.31 15.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.553 -179.747 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.808 ' OD1' HD12 ' A' ' 19' ' ' LEU . 40.9 t30 -74.22 -35.98 63.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.71 0.29 . . . . 0.0 111.352 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -48.29 -47.19 36.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.059 0.456 . . . . 0.0 110.583 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.38 -42.25 98.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.474 -179.65 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.74 ' HA ' ' HG2' ' B' ' 22' ' ' LYS . 1.0 OUTLIER -60.81 -47.65 85.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.965 0.412 . . . . 0.0 110.247 -179.869 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.442 ' HG3' HD11 ' A' ' 19' ' ' LEU . 17.2 tttt -45.42 -28.5 0.89 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.126 179.626 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.55 -34.22 23.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.486 -179.642 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.74 ' HG2' ' HA ' ' B' ' 19' ' ' LEU . 14.9 ptmt -90.05 -9.52 48.24 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.249 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.606 HG22 HD22 ' A' ' 19' ' ' LEU . 61.9 t -40.65 -55.05 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 120.68 0.276 . . . . 0.0 111.493 -179.162 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.432 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 7.8 mt-30 -69.34 -31.5 69.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.629 179.727 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.98 -21.93 65.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 1.015 HD13 HG13 ' A' ' 23' ' ' VAL . 30.8 mt -78.04 -60.05 2.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.432 ' CD ' ' HA ' ' B' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.328 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.722 HD13 ' HB2' ' B' ' 6' ' ' LYS . 9.6 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.772 0.32 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -73.76 -56.55 4.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.002 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -62.18 -29.21 70.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.525 ' HG2' HG11 ' B' ' 9' ' ' VAL . 57.5 tt0 -58.51 -25.45 62.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 179.842 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.489 HG21 HD22 ' B' ' 5' ' ' LEU . 87.3 t -74.72 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.77 179.796 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.28 -26.11 11.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.944 179.728 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -53.51 33.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.694 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.487 HD12 HG13 ' B' ' 9' ' ' VAL . 32.2 mt -77.52 -31.7 53.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.962 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.7 -25.1 64.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.99 -36.64 14.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.184 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -85.11 -53.67 5.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.437 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 40.4 t30 -49.39 -32.84 12.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.432 ' CE1' ' HG3' ' A' ' 21' ' ' GLN . 31.3 t80 -76.91 -36.68 56.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -59.51 -29.9 68.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.278 -179.705 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.772 ' O ' HG23 ' A' ' 23' ' ' VAL . 37.1 mt -92.3 -53.97 4.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.188 -179.81 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -47.66 -28.13 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.391 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.432 ' HG3' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -91.74 -25.22 19.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.195 -179.846 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -89.54 -34.98 16.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.799 0.333 . . . . 0.0 111.001 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 19' ' ' LEU . 21.9 t -64.49 -28.99 46.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.531 ' HB3' ' OE1' ' A' ' 25' ' ' GLN . . . -58.95 -28.03 65.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.531 ' OE1' ' HB3' ' A' ' 24' ' ' ALA . 2.8 mp0 -99.23 -30.18 12.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.019 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 23' ' ' VAL . 72.5 mt -56.64 -54.89 40.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.03 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.727 ' HB3' HD22 ' B' ' 26' ' ' LEU . 7.5 pt-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.839 0.352 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.6 -27.53 27.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.788 -179.353 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.636 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 12.2 mt -110.35 -46.07 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 0.0 110.05 179.499 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.722 ' HB2' HD13 ' A' ' 5' ' ' LEU . 8.8 ttpt -47.66 -39.14 16.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.259 179.471 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -81.04 -42.41 21.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.369 -179.492 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.636 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -53.76 -25.87 20.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.367 -179.482 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.525 HG11 ' HG2' ' A' ' 8' ' ' GLU . 57.4 t -60.7 -42.98 94.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.568 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -55.83 -22.95 27.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.129 -179.861 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.97 1.31 31.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.848 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.433 HD12 HD12 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -112.25 -51.14 2.86 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.898 0.38 . . . . 0.0 110.819 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.439 ' HB3' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -76.92 -26.17 53.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.586 -179.496 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -52.55 -51.06 61.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.822 0.344 . . . . 0.0 111.131 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.402 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 0.3 OUTLIER -82.14 -47.74 12.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.65 179.686 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.453 ' OD1' HD12 ' A' ' 19' ' ' LEU . 27.4 t30 -51.22 -48.12 62.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -54.2 -34.12 59.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 110.642 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.62 -49.47 21.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.731 ' HB3' HG21 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -61.9 -54.88 35.9 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.496 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.27 -29.54 0.41 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.465 179.681 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -86.52 -40.56 15.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.677 -179.585 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.423 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -90.45 -3.17 57.85 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.904 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.712 HG23 ' O ' ' B' ' 19' ' ' LEU . 19.9 t -46.67 -65.06 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 111.209 -179.564 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -61.56 -41.15 96.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.74 -29.0 37.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.741 ' CD1' HG13 ' A' ' 23' ' ' VAL . 39.1 mt -77.49 -63.72 1.31 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.429 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.19 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.806 HD13 ' HB2' ' B' ' 6' ' ' LYS . 28.2 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.864 0.364 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -56.98 -50.09 73.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -69.51 -24.73 63.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.969 -179.886 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.727 ' OE1' HG21 ' B' ' 9' ' ' VAL . 35.3 tt0 -57.37 -28.54 63.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.596 179.477 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.625 HG13 HD11 ' B' ' 12' ' ' LEU . 98.6 t -77.64 -55.76 9.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.584 179.551 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.83 -28.03 46.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.758 179.604 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -59.71 -55.27 36.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.671 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.454 HD12 HG13 ' B' ' 9' ' ' VAL . 24.3 mt -75.66 -38.22 58.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 179.83 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -51.51 -26.09 7.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.172 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.48 -36.01 22.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.024 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.31 -55.62 3.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.801 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -49.69 -37.11 27.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.046 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -69.97 -44.23 69.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.35 -25.63 59.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.363 -179.798 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.902 HD12 ' OD1' ' B' ' 16' ' ' ASN . 63.6 mt -99.07 -47.96 5.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.028 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -51.09 -26.76 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.146 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.47 -28.62 20.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -85.88 -38.71 17.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.796 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 19' ' ' LEU . 16.4 t -62.19 -39.53 84.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.722 179.858 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.12 -31.49 68.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.713 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -82.36 -39.29 22.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.695 179.759 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.578 HD22 ' HB3' ' B' ' 27' ' ' ARG . 31.8 mt -56.43 -73.52 0.06 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.807 179.822 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.815 ' HB3' HD22 ' B' ' 26' ' ' LEU . 4.9 pt-20 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.86 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.469 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 4.0 pt20 . . . . . 0 C--O 1.229 0.016 0 CA-C-O 120.806 0.336 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.86 -30.14 44.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.593 -179.595 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.473 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 8.0 mt -110.71 -42.8 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.643 0.735 . . . . 0.0 109.945 179.393 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.806 ' HB2' HD13 ' A' ' 5' ' ' LEU . 5.7 ttpp -51.56 -38.26 53.53 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.332 179.703 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.59 -26.06 35.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.364 -179.593 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.473 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -68.55 -24.72 64.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.774 0.321 . . . . 0.0 111.046 -179.921 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.727 HG21 ' OE1' ' A' ' 8' ' ' GLU . 48.1 t -60.01 -43.66 93.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.972 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 1.6 pp0? -53.09 -25.07 11.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 -179.904 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.81 -1.89 30.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.811 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.625 HD11 HG13 ' A' ' 9' ' ' VAL . 0.4 OUTLIER -113.12 -38.66 4.4 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.699 0.285 . . . . 0.0 111.055 -179.807 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.417 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -90.03 -25.18 20.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.728 -179.376 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -58.17 -55.84 29.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.851 0.358 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.578 ' HG3' HD21 ' B' ' 19' ' ' LEU . 4.5 tpp180 -76.75 -49.31 16.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.611 179.845 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.902 ' OD1' HD12 ' A' ' 19' ' ' LEU . 32.6 t30 -50.95 -42.84 60.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.183 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -54.47 -38.29 66.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.714 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.54 -44.92 56.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.961 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.767 ' HB3' HG21 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -61.9 -57.47 11.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.036 179.701 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.528 ' HG3' HD11 ' A' ' 19' ' ' LEU . 6.8 tttt -42.27 -30.92 0.34 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.703 179.826 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -87.87 -40.31 14.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.742 -179.417 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.499 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -90.47 -0.38 57.64 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -178.885 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.758 HG23 ' O ' ' B' ' 19' ' ' LEU . 35.7 t -48.86 -64.08 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.853 0.358 . . . . 0.0 111.001 -179.624 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.92 -34.88 78.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.749 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.84 -31.09 68.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.815 ' CD1' HG13 ' A' ' 23' ' ' VAL . 75.2 mt -72.26 -62.54 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.746 179.81 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.578 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.812 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.6 HD13 ' HB2' ' B' ' 6' ' ' LYS . 6.9 mt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.813 0.34 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.471 ' HG2' HD13 ' B' ' 5' ' ' LEU . 23.5 mt-10 -57.29 -45.37 84.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.135 -179.804 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -73.99 -31.06 62.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.043 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.586 ' HG2' HG11 ' B' ' 9' ' ' VAL . 39.1 tt0 -59.53 -24.24 63.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.074 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.661 ' CG2' HG22 ' B' ' 9' ' ' VAL . 79.1 t -78.51 -59.53 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.615 179.742 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.94 -25.65 12.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.956 0.407 . . . . 0.0 110.958 179.583 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -68.58 -41.05 80.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.818 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.47 HD12 HG13 ' B' ' 9' ' ' VAL . 16.0 mt -92.02 -38.21 12.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.244 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -54.47 -24.54 20.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.125 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.03 -36.97 14.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -84.67 -54.55 4.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.961 -179.907 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' LEU . 35.1 t30 -48.42 -33.07 8.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -81.41 -43.31 19.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.965 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -28.99 65.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.247 -179.671 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.861 ' O ' HG23 ' A' ' 23' ' ' VAL . 22.9 mt -89.3 -45.49 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.176 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.0 -28.26 2.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.308 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -91.17 -30.33 16.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -83.46 -22.88 32.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.083 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 19' ' ' LEU . 11.4 t -86.84 -30.7 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.113 -179.922 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.96 -29.48 68.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.334 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -89.81 -38.86 13.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.166 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.435 HD22 ' HB3' ' B' ' 27' ' ' ARG . 66.5 mt -57.42 -67.12 0.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.077 -179.849 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.659 ' HB3' HD22 ' B' ' 26' ' ' LEU . 2.5 pt-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 . . . . . 0 N--CA 1.461 0.105 0 CA-C-O 120.712 0.292 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.67 -28.11 66.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.464 -179.682 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.637 HD23 ' HG2' ' B' ' 8' ' ' ARG . 9.6 mt -110.78 -44.94 3.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.708 0.766 . . . . 0.0 109.799 179.455 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.6 ' HB2' HD13 ' A' ' 5' ' ' LEU . 1.9 ttpp -45.74 -32.52 2.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.442 -1.254 . . . . 0.0 111.491 179.524 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.19 -18.35 25.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.86 -179.242 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.637 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -81.19 -25.6 36.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.596 0.236 . . . . 0.0 111.479 -179.457 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.661 HG22 ' CG2' ' A' ' 9' ' ' VAL . 60.9 t -64.99 -39.41 85.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.829 0.347 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.545 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -59.22 -18.95 41.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.186 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.21 12.06 16.99 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -179.67 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.458 HD12 HD12 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -121.64 -51.12 2.06 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.006 0.431 . . . . 0.0 110.701 179.709 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -78.74 -22.35 46.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.49 -179.702 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -57.33 -53.38 58.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.327 . . . . 0.0 111.3 -179.85 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -86.78 -34.2 19.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.028 -179.883 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.57 ' OD1' HD12 ' A' ' 19' ' ' LEU . 29.0 t30 -62.46 -44.6 96.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 -179.814 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -54.77 -29.36 53.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.127 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.7 -50.52 15.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.048 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.738 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.9 OUTLIER -62.02 -55.82 25.3 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.625 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.494 ' HD2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -42.64 -29.58 0.3 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.618 179.831 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -85.59 -40.11 16.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.718 -179.396 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.459 ' CD ' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.37 -8.96 49.37 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -178.721 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 19' ' ' LEU . 13.4 t -43.63 -54.86 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 120.837 0.351 . . . . 0.0 111.372 -179.281 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -67.68 -34.71 77.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.79 -29.23 70.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.254 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.663 HD12 HG13 ' A' ' 23' ' ' VAL . 48.7 mt -76.78 -59.59 2.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.435 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.998 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.41 ' HG2' ' CB ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -90.46 23.09 3.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.839 0.352 . . . . 0.0 111.535 . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.777 ' HA ' ' H ' ' B' ' 1' ' ' GLU . 7.1 t -64.43 -38.96 83.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.961 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.13 -5.39 59.1 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.544 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.41 ' CB ' ' HG2' ' A' ' 1' ' ' GLU . 1.8 mm-40 -90.2 -40.88 11.92 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.533 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.907 HD11 ' HA ' ' B' ' 1' ' ' GLU . 2.9 mt -58.7 -44.88 90.45 Favored 'General case' 0 CA--C 1.519 -0.227 0 C-N-CA 120.325 -0.55 . . . . 0.0 109.92 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -50.96 -27.38 7.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.534 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.78 -24.79 14.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.51 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -68.4 -22.67 64.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.447 HG12 ' OE1' ' A' ' 13' ' ' GLU . 78.0 t -81.03 -54.61 9.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.259 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.76 -23.94 46.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.999 0.428 . . . . 0.0 110.495 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -67.87 -55.31 13.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.603 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.498 HD12 HD12 ' B' ' 12' ' ' LEU . 28.9 mt -76.47 -46.3 27.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.837 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.447 ' OE1' HG12 ' A' ' 9' ' ' VAL . 29.7 mt-10 -48.26 -28.16 2.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.849 0.357 . . . . 0.0 110.947 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.64 -32.86 28.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.669 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -88.04 -57.1 3.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.537 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 12' ' ' LEU . 18.7 t-20 -47.24 -34.7 6.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.895 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -80.18 -34.52 37.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -29.12 68.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.206 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.767 ' O ' HG23 ' A' ' 23' ' ' VAL . 45.8 mt -87.22 -52.0 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.219 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.29 -28.45 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.468 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -85.12 -29.43 24.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.185 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -89.05 -34.07 16.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.875 0.369 . . . . 0.0 111.026 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 19' ' ' LEU . 11.6 t -71.64 -29.78 35.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.026 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.66 -19.12 63.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.422 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -110.67 -37.1 5.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.345 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 26' ' ' LEU . 26.2 mt -55.91 -62.66 1.55 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.744 0.307 . . . . 0.0 111.211 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.581 ' HB3' HD22 ' B' ' 26' ' ' LEU . 5.3 pt-20 -90.0 59.35 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.985 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -75.95 -43.41 44.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -89.97 -36.2 15.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.58 58.47 5.02 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.45 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 O-C-N 122.768 -0.254 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 0' ' ' ACE . . . . . 0.76 ' H1 ' HG13 ' A' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.951 ' O ' ' HB2' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -38.63 -53.36 1.62 Allowed 'General case' 0 CA--C 1.466 -2.252 0 CA-C-O 122.192 0.996 . . . . 0.0 109.76 . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 1.22 ' O ' ' N ' ' B' ' 4' ' ' ALA . 0.1 OUTLIER -26.46 118.82 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.412 -2.365 0 CA-C-N 113.549 -1.659 . . . . 0.0 110.112 -178.348 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -27.82 28.62 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.636 1.175 . . . . 0.0 112.4 -178.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 1.22 ' N ' ' O ' ' B' ' 2' ' ' VAL . . . -91.17 -43.56 9.79 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 113.708 -1.587 . . . . 0.0 108.569 177.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.757 ' HB2' HD12 ' A' ' 5' ' ' LEU . 2.2 mt -118.76 -36.63 3.42 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 112.777 -2.01 . . . . 0.0 108.508 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.951 ' HB2' ' O ' ' B' ' 1' ' ' GLU . 7.3 ttpp -55.45 -24.25 29.84 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.981 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.482 ' HE3' ' HA ' ' B' ' 4' ' ' ALA . 0.0 OUTLIER -85.8 -20.18 29.58 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.778 179.159 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.527 ' NE ' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -90.23 -32.64 16.49 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.485 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.477 ' N ' ' HG3' ' B' ' 8' ' ' ARG . 77.3 t -59.76 -35.13 58.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.771 0.32 . . . . 0.0 111.075 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.698 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 29.6 mt-30 -62.7 -15.17 51.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.324 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.07 -12.26 38.97 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.498 HD12 HD12 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -96.92 -51.05 4.4 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.757 0.313 . . . . 0.0 111.259 -179.693 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.488 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.4 -19.29 56.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.797 -178.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -58.47 -58.26 9.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.357 . . . . 0.0 111.31 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.73 -34.65 24.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.676 ' OD1' HD12 ' A' ' 19' ' ' LEU . 46.5 t30 -58.49 -43.25 88.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.252 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -57.92 -32.31 67.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.257 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.49 -53.49 11.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.288 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.961 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.8 OUTLIER -59.35 -54.25 48.91 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.224 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.76 -28.63 0.25 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.524 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -86.8 -39.55 15.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.84 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.618 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.1 OUTLIER -90.35 -20.01 23.35 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.851 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.961 HG23 ' O ' ' B' ' 19' ' ' LEU . 96.7 t -42.21 -62.41 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 120.74 0.305 . . . . 0.0 111.612 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -29.96 69.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.01 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.05 -32.56 73.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.176 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.618 HD11 ' HD3' ' B' ' 22' ' ' LYS . 75.4 mt -72.67 -55.67 6.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -43.4 98.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.029 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -67.88 -66.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -86.47 132.82 33.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -166.73 -74.41 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 O-C-N 122.745 -0.268 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.402 ' CB ' ' CB ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -90.08 135.56 33.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 110.829 . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.9 t -54.63 -65.68 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.02 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.71 69.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.943 0.401 . . . . 0.0 110.675 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.402 ' CB ' ' CB ' ' A' ' 1' ' ' GLU . 1.7 tp-100 -59.41 -28.36 66.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.676 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.621 HD22 ' CG ' ' B' ' 6' ' ' LYS . 6.0 mt -93.87 -31.71 14.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.599 ' HG2' HD13 ' B' ' 5' ' ' LEU . 13.8 mt-10 -67.75 -43.03 80.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.024 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -28.22 65.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.628 ' HG2' HG11 ' B' ' 9' ' ' VAL . 45.4 tt0 -59.47 -25.56 64.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.858 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.785 ' CG2' HG22 ' B' ' 9' ' ' VAL . 78.1 t -77.07 -61.29 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.467 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.45 -27.73 4.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.958 0.408 . . . . 0.0 110.797 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -66.66 -39.79 88.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.704 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.476 HD12 HG13 ' B' ' 9' ' ' VAL . 12.8 mt -92.85 -41.46 10.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -52.48 -24.98 8.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.237 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.2 -35.47 17.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.207 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -87.39 -54.78 4.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.051 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.437 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 48.1 t30 -50.35 -27.91 7.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.353 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -89.1 -48.09 7.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -59.29 -29.64 67.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.867 ' O ' HG23 ' A' ' 23' ' ' VAL . 64.4 mt -77.37 -52.93 8.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.939 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -47.44 -28.7 2.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.842 0.353 . . . . 0.0 111.34 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.08 -27.98 15.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.099 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -83.38 -31.98 26.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.985 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.877 HG13 ' CD1' ' B' ' 26' ' ' LEU . 38.5 t -64.43 -28.88 45.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.055 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.85 -25.38 63.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.233 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.36 -27.76 13.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.122 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' B' ' 27' ' ' ARG . 37.4 mt -57.52 -60.78 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 111.131 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.697 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.8 OUTLIER -85.05 57.42 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.029 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -87.0 -41.53 13.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -31.94 72.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.04 30.49 9.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 O-C-N 122.806 -0.232 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 0' ' ' ACE . . . . . 0.747 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.23 0.073 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.653 ' H ' ' HB3' ' B' ' 4' ' ' ALA . 2.0 mt-10 -90.18 -165.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 111.204 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.407 ' O ' ' HB3' ' B' ' 6' ' ' LYS . 97.1 t -44.38 -87.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.311 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.462 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 4.2 pm0 -57.48 -36.49 71.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.798 0.332 . . . . 0.0 111.283 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.653 ' HB3' ' H ' ' B' ' 1' ' ' GLU . . . -55.11 -29.93 58.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.51 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.747 HD12 ' O ' ' B' ' 0' ' ' ACE . 9.5 mt -111.1 -45.31 3.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.576 0.703 . . . . 0.0 109.854 179.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.621 ' CG ' HD22 ' A' ' 5' ' ' LEU . 10.6 ttpp -46.71 -33.8 4.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.598 -1.183 . . . . 0.0 111.28 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.415 ' HD3' ' O ' ' B' ' 3' ' ' GLN . 8.3 mtpt -84.62 -43.42 14.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.296 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.554 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -53.55 -24.44 13.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.595 -179.582 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.785 HG22 ' CG2' ' A' ' 9' ' ' VAL . 55.2 t -62.22 -40.66 88.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.187 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.56 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -58.66 -20.63 49.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.232 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.67 8.69 21.39 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.507 HD11 HG13 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -120.46 -50.09 2.23 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.885 0.374 . . . . 0.0 110.687 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.461 ' HB3' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.53 -20.54 54.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.507 -179.658 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -56.54 -51.69 67.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.37 . . . . 0.0 111.381 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.97 -34.04 16.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.077 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.437 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 31.0 t-20 -62.94 -40.47 97.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.02 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -52.72 -33.08 46.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.797 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.6 -46.53 31.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.873 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.7 OUTLIER -65.93 -53.71 35.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.158 179.751 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -44.88 -28.68 0.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.363 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -83.32 -42.04 17.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.516 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.426 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.15 -14.08 34.34 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.349 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.873 HG23 ' O ' ' B' ' 19' ' ' LEU . 43.5 t -48.01 -50.66 10.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.681 0.277 . . . . 0.0 111.06 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.407 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 7.4 mt-30 -70.63 -33.13 70.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.557 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.29 -29.6 70.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.791 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.877 ' CD1' HG13 ' A' ' 23' ' ' VAL . 83.8 mt -70.79 -62.07 1.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.768 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.633 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -54.48 -32.89 58.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.24 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.22 -31.36 69.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 100.65 8.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.84 103.81 0.2 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.514 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 O-C-N 122.792 -0.24 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -78.67 126.48 30.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.5 t -73.35 -58.41 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.277 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.85 -45.16 82.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.189 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -47.48 -29.37 2.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.058 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.755 HD22 ' HA ' ' B' ' 6' ' ' LYS . 51.4 mt -85.53 -37.02 20.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.587 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.45 -27.98 68.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.862 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.45 -32.35 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.484 ' HG2' HG11 ' B' ' 9' ' ' VAL . 64.6 tt0 -61.25 -22.92 65.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.011 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.428 HG13 HD11 ' B' ' 12' ' ' LEU . 94.1 t -80.22 -57.29 5.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.632 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.34 -25.38 23.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -50.72 61.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.659 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' B' ' 13' ' ' LYS . 41.5 mt -80.67 -32.36 36.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -59.89 -24.72 64.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.93 -38.55 13.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.144 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.55 -54.23 5.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.44 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 44.0 t30 -50.67 -30.7 14.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -86.13 -43.19 13.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -57.24 -42.39 81.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.873 HD12 ' OD1' ' B' ' 16' ' ' ASN . 66.4 mt -71.47 -48.34 49.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -51.88 -26.02 9.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.242 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -96.45 -24.85 15.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.198 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -89.94 -26.84 20.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.744 0.306 . . . . 0.0 111.149 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 19' ' ' LEU . 26.3 t -76.27 -29.18 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.122 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.85 -24.1 55.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.296 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -96.88 -37.5 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.142 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.429 HD22 ' HB3' ' B' ' 27' ' ' ARG . 77.7 mt -58.68 -64.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.03 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.467 ' HB3' HD13 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -85.92 57.54 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.898 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -66.85 -30.44 70.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.59 -32.93 70.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -102.71 71.15 0.31 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 O-C-N 122.752 -0.264 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 0' ' ' ACE . . . . . 0.65 ' O ' ' HB3' ' B' ' 4' ' ' ALA . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -63.81 -65.94 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.951 0.405 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.738 ' O ' ' HB2' ' B' ' 6' ' ' LYS . 13.7 t -87.56 -14.9 9.74 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.48 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -92.62 -69.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.065 0.46 . . . . 0.0 112.12 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' B' ' 0' ' ' ACE . . . -53.15 -17.18 1.46 Allowed 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -178.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.619 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 2.8 mt -102.83 -29.59 11.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.826 0.822 . . . . 0.0 109.817 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.755 ' HA ' HD22 ' A' ' 5' ' ' LEU . 1.3 tptm -70.75 -65.85 0.68 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.163 -1.38 . . . . 0.0 111.551 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -18.35 38.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.974 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.619 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -76.43 -27.1 56.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.674 0.273 . . . . 0.0 111.54 -179.531 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.484 HG11 ' HG2' ' A' ' 8' ' ' GLU . 76.6 t -60.63 -52.19 64.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.644 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 0.2 OUTLIER -52.47 -28.72 21.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.995 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.56 -19.78 62.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.513 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.451 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -90.48 -46.56 8.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.987 0.422 . . . . 0.0 110.864 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.474 ' HB3' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -80.19 -17.34 52.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.663 -179.587 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.644 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -57.37 -54.93 41.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.099 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.31 -36.4 29.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.873 ' OD1' HD12 ' A' ' 19' ' ' LEU . 28.0 t30 -62.74 -39.76 95.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -53.17 -36.56 61.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.378 . . . . 0.0 110.979 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.21 -45.88 62.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.858 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.9 OUTLIER -65.46 -56.08 14.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.075 179.617 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.29 -29.17 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.486 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -82.13 -41.17 20.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.645 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.62 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.18 -34.33 15.87 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.331 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.858 HG23 ' O ' ' B' ' 19' ' ' LEU . 72.8 t -34.37 -56.66 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.78 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' B' ' 28' ' ' HIS . 59.2 mm-40 -68.13 -42.67 79.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.557 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.12 -32.37 61.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.62 HD11 ' HD3' ' B' ' 22' ' ' LYS . 80.6 mt -72.87 -63.11 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.783 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.429 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -53.5 -31.8 47.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.423 -179.687 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' B' ' 24' ' ' GLN . 0.5 OUTLIER -90.02 -75.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 179.85 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.94 139.75 45.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.59 -38.79 1.86 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 O-C-N 122.735 -0.274 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.01 102.3 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.666 HG22 HG22 ' B' ' 2' ' ' VAL . 21.4 t -90.16 -50.29 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.218 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.0 -35.31 69.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.199 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -56.91 -30.33 63.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.987 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.653 HD22 ' HA ' ' B' ' 6' ' ' LYS . 13.0 mt -90.91 -39.36 12.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.814 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.777 ' HG2' HD13 ' B' ' 5' ' ' LEU . 2.5 mt-10 -59.72 -30.34 68.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -90.65 -27.87 18.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.989 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.58 ' CG ' HG11 ' B' ' 9' ' ' VAL . 26.7 tt0 -59.88 -25.23 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.82 ' CG2' HG22 ' B' ' 9' ' ' VAL . 86.4 t -74.64 -60.67 2.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.614 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.23 -25.27 13.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.8 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -72.48 -43.07 64.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.838 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.538 HD12 HG13 ' B' ' 9' ' ' VAL . 20.1 mt -86.54 -45.49 11.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.121 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.493 ' OE1' HG12 ' A' ' 9' ' ' VAL . 6.0 mt-10 -50.28 -26.47 4.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.269 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.82 -35.09 19.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.7 -55.93 3.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 12' ' ' LEU . 36.3 t30 -48.35 -44.15 34.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.26 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -66.49 -38.42 87.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -70.72 -28.05 64.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.341 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.885 HD12 ' OD1' ' B' ' 16' ' ' ASN . 68.8 mt -90.99 -47.04 7.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.206 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.42 -25.67 10.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.105 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.14 -26.09 15.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.071 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -89.14 -21.08 23.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.099 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 19' ' ' LEU . 21.6 t -89.97 -30.58 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.72 -28.81 57.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.04 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -87.28 -39.94 14.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.757 HD12 ' HA ' ' A' ' 23' ' ' VAL . 15.2 mt -59.58 -62.39 1.91 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.569 ' HG2' HG12 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -90.01 58.98 4.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.969 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -61.12 -50.04 74.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -73.65 -66.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 153.98 -81.18 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.535 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.391 0 O-C-N 122.727 -0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 0' ' ' ACE . . . . . 0.539 ' H3 ' ' CB ' ' B' ' 4' ' ' ALA . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -90.34 -68.95 0.75 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.855 0.36 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.811 ' O ' ' HB2' ' B' ' 6' ' ' LYS . 17.1 t -86.87 -22.76 6.91 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.827 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.649 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -92.27 -63.94 1.17 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.539 ' CB ' ' H3 ' ' B' ' 0' ' ' ACE . . . -54.67 -12.45 0.76 Allowed 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -178.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.882 ' O ' HG23 ' B' ' 9' ' ' VAL . 2.8 mt -110.42 -41.19 4.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.843 0.83 . . . . 0.0 109.603 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.811 ' HB2' ' O ' ' B' ' 2' ' ' VAL . 9.8 ttpp -55.7 -46.03 77.75 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.921 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -79.71 -32.12 41.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.527 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.635 HH21 HG11 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -69.25 -29.82 67.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.347 -179.449 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.882 HG23 ' O ' ' B' ' 5' ' ' LEU . 94.6 t -66.81 -35.66 75.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.389 . . . . 0.0 110.533 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.503 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 36.7 mt-30 -59.15 -19.23 43.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.193 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.2 10.28 17.42 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.497 HD12 HD12 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -119.96 -47.09 2.41 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.958 0.409 . . . . 0.0 110.824 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.454 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -83.76 -28.76 27.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.55 -179.4 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -51.26 -49.19 61.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 111.366 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -88.48 -45.08 10.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.885 ' OD1' HD12 ' A' ' 19' ' ' LEU . 29.0 t30 -56.22 -38.02 70.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.228 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -53.7 -42.38 67.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.027 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.78 -47.72 65.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.973 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.76 ' O ' HG23 ' B' ' 23' ' ' VAL . 1.0 OUTLIER -62.49 -58.66 6.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.456 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.633 ' HG3' HD11 ' A' ' 19' ' ' LEU . 11.5 tttm -40.6 -31.7 0.17 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.667 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -84.0 -43.47 15.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.064 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.532 ' CD ' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.52 -3.63 57.47 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -178.479 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.76 HG23 ' O ' ' B' ' 19' ' ' LEU . 20.1 t -45.79 -63.74 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 117.984 0.356 . . . . 0.0 111.289 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -60.64 -34.57 74.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.69 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.55 -30.13 69.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.052 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.707 HD12 HG13 ' A' ' 23' ' ' VAL . 85.6 mt -79.47 -61.35 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.512 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -55.1 -42.66 73.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -179.767 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -59.36 -52.77 64.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.985 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.05 86.94 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.37 -127.19 4.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 O-C-N 122.777 -0.249 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -90.44 24.5 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.655 0.265 . . . . 0.0 111.429 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 91.2 t -42.68 -54.67 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.629 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.67 -32.13 62.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.273 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -72.98 -8.19 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.387 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.764 HD22 ' CD ' ' B' ' 6' ' ' LYS . 8.7 mt -100.01 -27.95 13.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.697 0.284 . . . . 0.0 111.041 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -86.57 -57.47 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.144 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -56.7 -28.86 61.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.077 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.618 ' HG2' HG11 ' B' ' 9' ' ' VAL . 28.4 tt0 -62.18 -23.31 66.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.939 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.64 ' CG2' HG22 ' B' ' 9' ' ' VAL . 79.2 t -73.79 -60.6 2.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.731 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.03 -25.44 21.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.73 -51.33 57.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.73 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.5 HD12 HG13 ' B' ' 9' ' ' VAL . 24.0 mt -77.18 -36.37 55.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.715 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.466 ' OE1' HG12 ' A' ' 9' ' ' VAL . 13.6 mt-10 -55.24 -24.24 26.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.33 -37.51 18.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.045 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.404 ' HA ' ' HG2' ' A' ' 18' ' ' GLN . 3.4 tt0 -84.58 -54.62 4.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.749 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -54.29 -24.3 18.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -79.36 -53.64 6.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.293 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.404 ' HG2' ' HA ' ' A' ' 15' ' ' GLU . 8.8 pt20 -58.15 -33.29 69.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.282 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.859 ' O ' HG23 ' A' ' 23' ' ' VAL . 55.9 mt -75.33 -51.7 12.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.014 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -50.71 -26.55 5.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.36 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -94.61 -25.21 16.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.237 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -89.01 -29.79 19.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.811 0.338 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 19' ' ' LEU . 9.3 t -78.38 -30.37 15.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.04 -22.07 65.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.369 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -105.29 -36.08 7.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.183 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.647 HD22 ' HA ' ' B' ' 27' ' ' ARG . 14.5 mt -57.1 -46.9 82.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.089 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.7 OUTLIER -90.32 46.14 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.073 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -90.09 -42.47 11.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.82 -65.44 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.006 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.82 -141.19 37.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.538 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 O-C-N 122.739 -0.271 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 0' ' ' ACE . . . . . 0.525 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.231 0.096 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.567 ' N ' ' HB3' ' B' ' 4' ' ' ALA . 0.1 OUTLIER -65.91 -172.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 111.403 . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.431 ' O ' ' HB3' ' B' ' 6' ' ' LYS . 47.0 t -33.12 -88.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.163 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.498 ' O ' ' CG ' ' B' ' 7' ' ' LYS . 1.5 pm0 -57.73 -38.51 75.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.874 0.369 . . . . 0.0 111.411 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.567 ' HB3' ' N ' ' B' ' 1' ' ' GLU . . . -50.92 -28.82 10.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.852 0.358 . . . . 0.0 111.077 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.723 ' O ' HG23 ' B' ' 9' ' ' VAL . 11.2 mt -115.23 -39.09 3.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.446 0.641 . . . . 0.0 110.403 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.764 ' CD ' HD22 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -57.35 -31.94 66.24 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.268 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' B' ' 3' ' ' GLN . 0.8 OUTLIER -90.11 -43.66 10.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.664 -179.601 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.674 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -50.74 -26.67 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.268 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.723 HG23 ' O ' ' B' ' 5' ' ' LEU . 73.5 t -62.22 -46.03 97.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.145 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.505 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 1.1 pp0? -50.74 -30.22 13.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.236 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.23 -13.13 61.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.612 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.449 HD12 HD12 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -99.3 -47.49 5.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.894 0.378 . . . . 0.0 110.927 -179.798 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.433 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.79 -23.57 42.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.713 -179.361 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -55.86 -61.77 2.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.857 0.361 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.45 -38.01 59.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.754 ' OD1' HD12 ' A' ' 19' ' ' LEU . 30.5 t30 -59.35 -42.06 90.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -53.09 -40.6 64.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.38 -45.33 76.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.071 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.857 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.7 OUTLIER -63.15 -56.55 15.8 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.639 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -40.67 -30.22 0.11 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.604 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -82.73 -40.62 20.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.612 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.729 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.44 -31.65 16.73 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.14 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.857 HG23 ' O ' ' B' ' 19' ' ' LEU . 88.6 t -40.35 -61.53 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-O 120.748 0.309 . . . . 0.0 111.627 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.41 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 2.4 pt20 -58.2 -28.99 65.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' B' ' 22' ' ' LYS . . . -72.68 -28.23 62.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.225 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.729 HD11 ' HD3' ' B' ' 22' ' ' LYS . 38.1 mt -78.54 -59.71 2.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.073 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.647 ' HA ' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -51.64 -54.86 23.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.485 -179.749 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -70.8 -75.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.338 . . . . 0.0 110.836 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.01 134.44 43.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.14 -30.62 8.74 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 O-C-N 122.745 -0.268 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -89.96 104.95 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.684 0.278 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.3 t -85.41 -49.64 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.87 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.78 -20.94 54.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.064 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.54 12.61 14.05 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.347 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.516 HD21 ' HD3' ' B' ' 6' ' ' LYS . 67.3 mt -124.03 -42.39 2.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.807 0.337 . . . . 0.0 110.633 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -60.83 -75.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.427 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -19.64 61.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.585 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -63.67 -27.69 69.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.684 179.394 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.524 HG12 ' N ' ' A' ' 10' ' ' ALA . 1.1 t -69.92 -54.88 16.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.708 0.289 . . . . 0.0 110.381 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.524 ' N ' HG12 ' A' ' 9' ' ' VAL . . . -56.32 -27.29 55.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.049 0.452 . . . . 0.0 110.12 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.415 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 3.6 tp60 -63.9 -73.39 0.12 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.113 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.012 HD11 HG13 ' B' ' 9' ' ' VAL . 0.9 OUTLIER -34.18 -69.21 0.1 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.475 179.303 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.771 ' HG3' HD13 ' B' ' 12' ' ' LEU . 51.2 mt-10 -39.37 -35.37 0.26 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.77 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.657 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . . . -69.59 -55.9 8.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.462 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.657 ' OE1' ' HB3' ' A' ' 14' ' ' ALA . 0.4 OUTLIER -79.1 -50.19 11.43 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.478 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.572 ' N ' ' O ' ' A' ' 12' ' ' LEU . 1.8 t-20 -46.53 -29.01 1.59 Allowed 'General case' 0 CA--C 1.528 0.102 0 CA-C-O 120.793 0.33 . . . . 0.0 111.118 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -90.17 -29.14 18.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.894 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -74.51 -41.04 61.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.247 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.885 ' O ' HG23 ' A' ' 23' ' ' VAL . 76.3 mt -77.68 -53.32 7.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.157 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -48.19 -28.68 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 111.049 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.91 -30.41 31.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.791 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -88.72 -24.68 22.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.781 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.916 HG21 ' HB3' ' B' ' 19' ' ' LEU . 13.0 t -79.48 -31.61 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -33.04 71.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.84 -40.74 18.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.737 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.559 HD22 ' HB3' ' B' ' 27' ' ' ARG . 63.0 mt -58.58 -56.02 27.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.447 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.1 OUTLIER -90.2 59.59 4.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.723 179.795 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -54.9 -31.93 60.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -24.44 63.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.013 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.17 -51.17 4.53 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 O-C-N 122.688 -0.301 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 0' ' ' ACE . . . . . 0.687 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.23 0.05 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.693 ' N ' ' HB3' ' B' ' 4' ' ' ALA . 0.8 OUTLIER -90.3 -160.8 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.714 0.293 . . . . 0.0 111.416 . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 46.1 t -38.58 -81.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.149 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.423 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 24.4 mt-30 -58.16 -38.72 77.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.488 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.693 ' HB3' ' N ' ' B' ' 1' ' ' GLU . . . -56.18 -27.23 53.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.723 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.687 HD12 ' O ' ' B' ' 0' ' ' ACE . 3.0 mt -110.8 -48.35 3.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.569 0.7 . . . . 0.0 109.563 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.516 ' HD3' HD21 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -43.7 -36.45 2.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.654 179.058 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -81.23 -37.64 28.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.473 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.471 ' HE ' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -67.82 -32.03 72.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.736 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 1.012 HG13 HD11 ' A' ' 12' ' ' LEU . 29.4 t -59.34 -37.23 68.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-O 121.105 0.479 . . . . 0.0 109.752 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.569 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 27.3 mm-40 -56.27 -58.67 6.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.495 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -41.13 -30.1 0.14 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 1.007 HD12 HD12 ' A' ' 12' ' ' LEU . 1.3 mt -95.19 -79.21 0.44 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.334 0.588 . . . . 0.0 109.528 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.817 ' HD3' HD22 ' A' ' 12' ' ' LEU . 13.4 tptt -55.23 -35.12 64.58 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -49.87 -32.02 13.46 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 119.059 -1.056 . . . . 0.0 109.939 -177.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.469 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 12.8 tpt85 -90.61 -28.88 18.14 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.193 178.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.776 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 18.6 t30 -73.26 -51.88 16.03 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.101 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -48.34 -28.58 3.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.187 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.59 -49.33 16.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.06 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.916 ' HB3' HG21 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -61.95 -55.35 30.37 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.594 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.554 ' CE ' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -42.43 -29.19 0.26 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.59 179.61 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -86.4 -40.25 15.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.562 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.418 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -90.59 -5.56 55.75 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.823 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 19' ' ' LEU . 7.6 t -46.08 -60.88 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-O 120.805 0.336 . . . . 0.0 111.289 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.416 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 6.2 mt-30 -64.15 -38.75 92.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.12 -29.43 60.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.672 HD12 HG13 ' A' ' 23' ' ' VAL . 57.7 mt -77.35 -64.0 1.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.559 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -52.73 -26.26 13.57 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.273 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -76.18 -53.7 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.837 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.33 131.01 34.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -174.16 124.41 1.03 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.524 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.405 0 O-C-N 122.755 -0.262 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.03 166.82 13.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.954 0.407 . . . . 0.0 110.882 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.1 t -90.12 -49.87 13.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.215 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.65 -33.56 66.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.268 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -68.02 -28.14 67.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.692 HD13 ' HB2' ' B' ' 6' ' ' LYS . 46.6 mt -87.54 -46.18 9.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.983 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.517 ' HA ' HD13 ' B' ' 5' ' ' LEU . 3.8 mt-10 -57.11 -56.59 19.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -59.55 -28.75 67.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.108 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.668 ' HG2' HG11 ' B' ' 9' ' ' VAL . 22.5 tt0 -58.99 -25.61 63.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.983 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.773 HG13 HD11 ' B' ' 12' ' ' LEU . 58.8 t -81.19 -55.49 8.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.595 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.11 -25.68 23.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.553 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.46 -45.89 74.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.504 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.47 HD12 HD12 ' B' ' 12' ' ' LEU . 22.1 mt -84.17 -42.86 15.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.635 ' OE1' HG12 ' A' ' 9' ' ' VAL . 20.7 mt-10 -48.47 -28.37 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.065 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.26 -37.53 17.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -80.22 -56.86 3.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.703 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 12' ' ' LEU . 42.8 t-20 -50.54 -45.23 56.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.009 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -65.08 -41.57 94.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.784 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -28.04 56.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.258 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.85 ' O ' HG23 ' A' ' 23' ' ' VAL . 33.9 mt -98.39 -45.46 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -49.55 -27.92 4.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.185 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.473 ' HA ' HE21 ' A' ' 21' ' ' GLN . 0.0 OUTLIER -85.0 -28.61 25.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.095 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.99 -30.82 19.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.853 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 19' ' ' LEU . 10.3 t -75.08 -35.09 33.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.36 -23.63 25.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.406 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -109.9 -37.86 5.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.181 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.727 HD22 ' HA ' ' B' ' 27' ' ' ARG . 18.2 mt -59.62 -45.85 90.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.103 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.626 ' HG2' HG12 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -86.83 57.31 4.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 0.0 110.966 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -85.86 -66.49 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.42 88.47 4.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -148.6 -49.01 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.537 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 O-C-N 122.701 -0.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 0' ' ' ACE . . . . . 0.708 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.622 ' H ' ' HB3' ' B' ' 4' ' ' ALA . 1.4 mp0 -86.69 -167.94 2.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.707 0.289 . . . . 0.0 111.2 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.0 t -44.27 -90.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.429 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 34.3 mt-30 -55.43 -36.2 66.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.909 0.385 . . . . 0.0 111.05 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.622 ' HB3' ' H ' ' B' ' 1' ' ' GLU . . . -54.02 -29.76 44.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.144 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.868 HD23 ' HD3' ' B' ' 8' ' ' ARG . 11.9 mt -113.46 -40.73 3.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.794 0.806 . . . . 0.0 109.875 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.692 ' HB2' HD13 ' A' ' 5' ' ' LEU . 8.5 ttpt -57.23 -35.55 69.82 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.413 -1.267 . . . . 0.0 111.33 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.432 ' HD2' ' HG2' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -90.05 -16.94 28.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.613 -179.459 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.868 ' HD3' HD23 ' B' ' 5' ' ' LEU . 0.6 OUTLIER -88.43 -17.76 29.76 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.539 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.75 HG23 ' O ' ' B' ' 5' ' ' LEU . 84.5 t -63.02 -48.44 87.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.804 0.335 . . . . 0.0 110.804 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 7.3 pt20 -49.52 -33.49 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.03 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.72 -15.22 61.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.608 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.773 HD11 HG13 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -98.48 -38.6 9.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.722 0.296 . . . . 0.0 111.139 -179.862 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.431 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -90.1 -36.35 14.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.886 -179.194 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -51.2 -41.44 60.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 111.102 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.12 -45.17 9.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.634 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.688 ' OD1' HD12 ' A' ' 19' ' ' LEU . 33.2 t30 -55.41 -45.73 76.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -52.03 -35.07 45.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.794 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.14 -42.55 55.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.084 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.918 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.9 OUTLIER -64.18 -57.71 8.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.73 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -40.9 -30.21 0.12 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.681 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.0 -41.3 18.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.6 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.765 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.32 -20.71 22.58 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.194 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.918 HG23 ' O ' ' B' ' 19' ' ' LEU . 96.1 t -45.94 -58.12 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.83 0.348 . . . . 0.0 111.331 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -30.04 67.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.35 -32.56 70.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.765 HD11 ' HD3' ' B' ' 22' ' ' LYS . 22.0 mt -72.97 -60.52 2.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.985 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.727 ' HA ' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -53.44 -36.35 61.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.253 -179.818 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -60.9 -55.69 29.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.789 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -90.04 51.47 2.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 63.89 117.13 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.532 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 O-C-N 122.739 -0.271 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -89.91 161.39 15.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.094 0.473 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.644 HG12 ' HG2' ' A' ' 6' ' ' GLU . 60.7 t -47.73 -47.38 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.302 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.405 ' HA ' ' HB2' ' A' ' 6' ' ' GLU . . . -49.03 -27.84 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.51 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -66.76 -26.37 66.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.817 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.771 HD11 HG13 ' B' ' 2' ' ' VAL . 86.0 mt -105.12 -34.02 8.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.644 ' HG2' HG12 ' A' ' 2' ' ' VAL . 13.1 mm-40 -47.86 -29.56 3.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -82.11 -32.7 30.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.589 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.827 ' HG2' HG21 ' B' ' 9' ' ' VAL . 4.1 tt0 -53.8 -28.67 36.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.038 0.447 . . . . 0.0 110.302 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.762 HG13 HD11 ' B' ' 12' ' ' LEU . 85.1 t -83.16 -46.51 18.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.792 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.56 -31.84 71.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.146 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -63.58 1.09 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.722 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.564 HD12 HG13 ' B' ' 9' ' ' VAL . 70.9 mt -64.9 -42.27 94.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.879 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -44.02 -29.17 0.55 Allowed 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.914 0.388 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.21 -51.31 18.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.634 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.479 ' CG ' ' HA ' ' A' ' 12' ' ' LEU . 3.4 pt-20 -74.47 -47.21 34.78 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.777 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.446 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 54.6 t-20 -57.41 -20.89 32.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.766 0.317 . . . . 0.0 110.578 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -90.16 -48.56 7.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.99 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 12.8 pt20 -50.62 -26.81 5.8 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.541 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.905 ' O ' HG23 ' A' ' 23' ' ' VAL . 68.3 mt -85.08 -62.73 1.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.959 0.409 . . . . 0.0 110.104 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -30.36 1.83 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.473 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.78 -34.78 30.16 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.029 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.718 ' CD ' HD11 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -83.57 -24.48 31.53 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.057 0.456 . . . . 0.0 110.168 179.305 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 19' ' ' LEU . 57.8 t -63.85 -26.39 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.223 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.25 -21.95 61.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.366 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -108.02 -25.53 11.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.269 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.854 HD12 ' HA ' ' A' ' 23' ' ' VAL . 8.2 mt -52.86 -71.85 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.156 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -20.28 43.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.056 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -74.17 -69.27 0.46 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.83 0.347 . . . . 0.0 110.965 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.84 -67.83 0.81 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.62 -152.55 20.51 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 O-C-N 122.775 -0.25 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 0' ' ' ACE . . . . . 0.868 ' O ' ' HB3' ' B' ' 4' ' ' ALA . . . . . . . . 0 C--O 1.231 0.129 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -90.29 -75.19 0.46 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.984 0.421 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.771 HG13 HD11 ' A' ' 5' ' ' LEU . 23.2 t -68.03 -22.91 28.3 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.623 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.9 -67.88 0.83 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.868 ' HB3' ' O ' ' B' ' 0' ' ' ACE . . . -48.82 -14.8 0.07 Allowed 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -178.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.563 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 2.8 mt -108.93 -28.11 9.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.801 0.81 . . . . 0.0 110.068 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.715 ' HD3' HD22 ' A' ' 5' ' ' LEU . 8.5 tptt -77.69 -41.93 36.34 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.292 -1.322 . . . . 0.0 111.15 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.26 -6.4 58.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.495 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.563 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -90.16 -25.51 20.63 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.675 0.274 . . . . 0.0 111.313 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.827 HG21 ' HG2' ' A' ' 8' ' ' GLU . 45.6 t -49.31 -36.53 9.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 CA-C-O 120.764 0.316 . . . . 0.0 110.772 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.447 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -56.28 -24.38 42.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.607 179.638 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.27 -28.71 64.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.417 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.762 HD11 HG13 ' A' ' 9' ' ' VAL . 0.8 OUTLIER -82.16 -33.61 29.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.671 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.521 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -90.38 -38.36 13.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.854 -179.588 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -59.44 -35.11 73.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.062 0.458 . . . . 0.0 110.496 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.54 -35.97 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.248 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.8 ' OD1' HD12 ' A' ' 19' ' ' LEU . 22.0 t30 -69.48 -52.93 21.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.525 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -47.38 -42.82 22.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.579 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.74 -45.3 92.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.443 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.83 ' O ' HG23 ' B' ' 23' ' ' VAL . 1.1 mt -56.98 -49.2 76.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 0.0 110.406 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -43.03 -29.92 0.39 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.075 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -81.97 -51.58 7.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.588 ' HG2' ' HA ' ' B' ' 19' ' ' LEU . 15.7 ptmt -70.11 -39.05 75.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.053 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.83 HG23 ' O ' ' B' ' 19' ' ' LEU . 43.1 t -30.28 -57.46 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.192 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.641 ' HA ' ' HD3' ' B' ' 27' ' ' ARG . 3.7 pt20 -59.21 -46.92 87.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.078 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.64 -31.38 66.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.809 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.872 ' CD1' HG13 ' A' ' 23' ' ' VAL . 3.1 mt -64.51 -48.05 76.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.719 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.641 ' HD3' ' HA ' ' B' ' 24' ' ' GLN . 2.1 ptt-85 -57.91 -24.44 57.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.083 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -88.83 -24.03 22.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.046 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.14 141.69 18.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.162 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.27 -37.18 3.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.424 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.38 0 O-C-N 122.77 -0.253 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -90.46 25.47 2.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.73 0.3 . . . . 0.0 111.524 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 65.9 t -43.06 -62.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.494 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.47 -45.86 84.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.055 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -28.34 16.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.738 HD23 ' OE1' ' A' ' 8' ' ' GLU . 22.5 mt -91.23 -31.48 16.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.526 ' OE2' HD11 ' B' ' 5' ' ' LEU . 6.0 mm-40 -58.2 -39.31 78.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.47 -27.01 24.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.642 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.738 ' OE1' HD23 ' A' ' 5' ' ' LEU . 58.1 tt0 -56.28 -27.75 56.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.995 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.769 ' CG2' HG22 ' B' ' 9' ' ' VAL . 40.5 t -74.63 -57.27 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.536 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.7 -25.46 64.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.752 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -66.98 -57.27 7.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.505 HD12 HD12 ' B' ' 12' ' ' LEU . 71.3 mt -62.17 -35.72 79.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.593 ' OE2' HG12 ' A' ' 9' ' ' VAL . 32.7 mt-10 -56.74 -24.66 51.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.809 0.338 . . . . 0.0 110.785 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.03 -37.37 14.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.716 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.04 -56.85 3.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.586 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' LEU . 0.8 OUTLIER -50.58 -28.22 8.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.991 179.509 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -88.25 -21.88 24.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -85.62 9.57 15.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.762 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.901 ' O ' HG23 ' A' ' 23' ' ' VAL . 63.7 mt -127.15 -50.69 1.43 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.856 0.36 . . . . 0.0 110.411 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -48.95 -27.9 3.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.04 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.37 -28.46 18.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.779 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.11 -26.12 31.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.746 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 19' ' ' LEU . 32.6 t -70.64 -30.55 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.213 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.37 -24.61 30.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.719 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -111.08 -39.21 4.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.238 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.46 HD22 ' HB3' ' B' ' 27' ' ' ARG . 78.4 mt -57.36 -33.45 67.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.173 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.887 ' HA ' HD22 ' B' ' 26' ' ' LEU . 5.1 pt-20 -90.17 50.81 1.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.24 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -63.66 -28.04 69.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.785 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -59.51 -29.84 68.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.4 -70.0 1.12 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.522 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 O-C-N 122.705 -0.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 0' ' ' ACE . . . . . 0.812 ' O ' ' HB3' ' B' ' 4' ' ' ALA . . . . . . . . 0 C--O 1.23 0.074 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -90.18 -75.82 0.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.922 0.391 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.778 ' O ' ' HB2' ' B' ' 6' ' ' LYS . 20.0 t -69.65 -19.27 22.88 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.68 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.766 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -91.72 -66.46 0.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.053 0.454 . . . . 0.0 111.948 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.812 ' HB3' ' O ' ' B' ' 0' ' ' ACE . . . -48.08 -17.9 0.16 Allowed 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -178.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.699 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 2.9 mt -107.38 -41.68 5.02 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.795 0.807 . . . . 0.0 109.894 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.778 ' HB2' ' O ' ' B' ' 2' ' ' VAL . 5.1 tppt? -50.89 -53.42 32.71 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.403 -1.271 . . . . 0.0 111.267 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -26.14 62.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.652 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.699 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -71.72 -29.26 64.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.813 0.339 . . . . 0.0 110.923 -179.789 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.769 HG22 ' CG2' ' A' ' 9' ' ' VAL . 88.8 t -67.82 -32.43 56.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.572 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 84.6 mt-30 -59.3 -34.18 71.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.676 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.0 -15.7 59.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.782 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.505 HD12 HD12 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -99.11 -42.55 7.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.851 0.358 . . . . 0.0 110.965 -179.746 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.439 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -85.51 -25.15 27.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.892 -179.227 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -53.38 -48.48 68.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.874 0.368 . . . . 0.0 110.908 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 11.7 tpp180 -83.87 -43.64 15.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.474 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.587 ' OD1' HD12 ' A' ' 19' ' ' LEU . 45.9 t30 -56.55 -52.19 65.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.093 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -52.35 -36.69 54.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.68 -50.7 56.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.704 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.859 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.6 OUTLIER -65.12 -52.91 52.58 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.537 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -39.9 -30.63 0.09 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.916 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.35 -44.97 20.52 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.085 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.629 ' CG ' ' HA ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -81.93 -27.64 33.22 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.224 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.859 HG23 ' O ' ' B' ' 19' ' ' LEU . 93.7 t -47.13 -59.7 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.291 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -56.64 -37.55 70.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.66 -41.26 90.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.8 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.887 HD22 ' HA ' ' A' ' 27' ' ' GLU . 93.8 mt -60.33 -64.24 1.02 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.747 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.46 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -58.62 -22.29 55.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.248 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -31.88 66.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -59.19 121.15 10.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.32 -54.73 0.48 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 O-C-N 122.756 -0.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.482 ' OE1' ' HB3' ' A' ' 3' ' ' ALA . 1.4 tt0 -90.07 132.14 35.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 110.822 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.88 -48.03 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.109 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.482 ' HB3' ' OE1' ' A' ' 1' ' ' GLU . . . -59.76 -32.47 70.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.189 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -58.84 -42.8 90.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.644 HD13 ' HB2' ' B' ' 6' ' ' LYS . 93.2 mt -71.92 -33.03 67.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.043 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -57.45 -49.05 77.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -26.87 42.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.004 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.537 ' HG2' HG11 ' B' ' 9' ' ' VAL . 34.6 tt0 -55.66 -28.57 56.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.899 0.38 . . . . 0.0 110.641 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.798 ' CG2' HG22 ' B' ' 9' ' ' VAL . 65.0 t -75.13 -58.47 4.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.521 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.46 -29.71 50.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -61.73 -53.91 49.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.843 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.458 HD13 ' HB3' ' B' ' 13' ' ' LYS . 47.1 mt -71.02 -29.44 65.37 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.974 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -62.61 -27.64 69.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.667 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.23 -30.86 18.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.82 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.1 -56.92 3.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.694 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' LEU . 45.1 t-20 -50.72 -28.13 8.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -89.29 -35.45 16.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.68 -24.36 65.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.526 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.864 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.7 mt -91.47 -46.98 7.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.654 0.264 . . . . 0.0 111.091 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' HG3' ' NH2' ' B' ' 15' ' ' ARG . 0.9 OUTLIER -46.24 -42.12 13.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.865 0.364 . . . . 0.0 111.275 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.76 -25.82 62.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -89.79 -28.26 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.921 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 19' ' ' LEU . 9.0 t -78.76 -31.62 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.48 -28.36 63.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.279 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -99.07 -37.77 9.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.0 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.615 HD22 ' HB3' ' B' ' 27' ' ' ARG . 20.1 mt -61.25 -41.67 97.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.954 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.572 ' HA ' HD22 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -84.31 -17.17 40.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.286 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.1 t60 -53.62 -64.76 0.72 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.797 0.332 . . . . 0.0 111.11 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.43 96.13 9.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.35 -78.69 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.487 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 O-C-N 122.789 -0.242 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 0' ' ' ACE . . . . . 0.625 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.72 ' H ' ' HB3' ' B' ' 4' ' ' ALA . 2.9 mt-10 -90.11 -177.07 5.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.722 0.296 . . . . 0.0 111.091 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.536 ' HA ' HD12 ' A' ' 5' ' ' LEU . 19.7 t -43.63 -73.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.239 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -61.75 -38.12 86.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.375 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.72 ' HB3' ' H ' ' B' ' 1' ' ' GLU . . . -64.05 -21.48 66.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.939 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.625 HD12 ' O ' ' B' ' 0' ' ' ACE . 9.3 mt -111.75 -48.93 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.707 0.765 . . . . 0.0 109.786 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.644 ' HB2' HD13 ' A' ' 5' ' ' LEU . 1.8 tppp? -42.7 -36.97 1.58 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.53 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.68 -31.32 36.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.241 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.498 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -71.35 -26.01 62.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.337 . . . . 0.0 111.052 -179.835 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.798 HG22 ' CG2' ' A' ' 9' ' ' VAL . 70.0 t -68.02 -40.79 83.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.73 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.556 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 48.8 mt-30 -55.74 -31.83 62.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.57 -17.47 64.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.637 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.672 HD11 HG13 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -95.17 -46.8 6.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.869 0.366 . . . . 0.0 110.864 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.458 ' HB3' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.74 -18.47 51.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.627 -179.613 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -57.41 -53.75 54.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.895 0.379 . . . . 0.0 111.029 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.689 ' HD3' HD11 ' B' ' 19' ' ' LEU . 0.0 OUTLIER -84.28 -33.13 24.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.452 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 62.1 t-20 -61.77 -50.5 72.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 110.743 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -50.16 -31.84 14.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.009 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.43 -54.17 11.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.71 ' HB3' HG21 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -66.21 -52.66 45.78 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.501 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.19 -30.17 1.12 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.15 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -81.81 -43.85 17.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.72 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.436 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.33 0.55 57.2 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.574 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.691 HG23 ' O ' ' B' ' 19' ' ' LEU . 35.5 t -49.06 -61.75 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.937 0.398 . . . . 0.0 110.872 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -62.11 -33.36 74.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.837 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.14 -29.69 70.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.759 ' CD1' HG13 ' A' ' 23' ' ' VAL . 94.8 mt -74.66 -50.1 18.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.615 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -74.45 -30.12 61.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.423 ' CD2' ' HG3' ' B' ' 27' ' ' ARG . 50.2 m170 -90.25 18.42 6.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.374 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.18 -30.58 68.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.859 0.362 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.62 125.67 2.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 O-C-N 122.755 -0.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -90.15 146.27 24.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.962 0.41 . . . . 0.0 110.711 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.6 t -53.8 -51.93 39.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.266 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.97 -37.91 75.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.06 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -59.16 -36.46 75.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.814 HD22 ' HD3' ' B' ' 6' ' ' LYS . 6.0 mt -64.7 -45.98 84.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.755 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.571 ' HG2' HD13 ' B' ' 5' ' ' LEU . 7.6 mt-10 -63.15 -41.27 99.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.767 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -72.55 -31.49 65.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.673 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.529 ' HG2' HG11 ' B' ' 9' ' ' VAL . 28.8 tt0 -58.22 -24.8 60.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.941 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.466 HG22 HG22 ' B' ' 9' ' ' VAL . 87.6 t -75.08 -59.78 2.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.708 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -24.32 30.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -67.9 -56.55 8.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.852 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.497 HD12 HG13 ' B' ' 9' ' ' VAL . 47.5 mt -70.46 -30.87 67.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.961 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -59.47 -27.17 65.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.721 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.14 -37.1 14.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -80.76 -55.16 5.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.429 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 39.9 t30 -50.33 -33.99 22.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.045 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -78.1 -41.81 34.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -56.48 -34.89 67.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.31 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.912 HD12 ' OD1' ' B' ' 16' ' ' ASN . 97.4 mt -84.96 -42.56 14.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.943 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -51.84 -26.53 10.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.107 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -94.65 -26.5 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.024 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -86.52 -25.48 25.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.989 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 19' ' ' LEU . 11.1 t -85.99 -35.3 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.33 -31.29 67.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.993 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -78.68 -39.83 35.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.441 HD13 ' HB2' ' B' ' 26' ' ' LEU . 31.5 mt -65.98 -69.14 0.32 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.485 ' HB3' HD13 ' B' ' 26' ' ' LEU . 1.4 pt-20 -90.06 52.29 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -57.63 -23.26 50.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.144 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -56.25 -53.11 61.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.832 0.348 . . . . 0.0 111.049 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.06 146.59 20.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.427 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 O-C-N 122.727 -0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 0' ' ' ACE . . . . . 0.645 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.23 0.072 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.703 ' N ' ' HB3' ' B' ' 4' ' ' ALA . 21.0 mt-10 -84.5 -160.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.617 0.246 . . . . 0.0 111.292 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.722 ' HA ' HD12 ' A' ' 5' ' ' LEU . 60.4 t -39.64 -85.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.878 -179.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.442 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 0.5 OUTLIER -57.65 -39.6 77.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.835 0.35 . . . . 0.0 111.252 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.703 ' HB3' ' N ' ' B' ' 1' ' ' GLU . . . -52.03 -28.37 16.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.563 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.645 HD12 ' O ' ' B' ' 0' ' ' ACE . 10.1 mt -112.23 -49.05 2.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 109.43 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.814 ' HD3' HD22 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -45.05 -34.38 2.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.803 179.062 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -76.1 -46.22 29.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.464 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -55.46 -24.06 28.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.296 -179.844 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.529 HG11 ' HG2' ' A' ' 8' ' ' GLU . 57.7 t -62.35 -45.52 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.17 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.624 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 1.4 pp0? -52.37 -26.98 13.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.277 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.15 -11.62 60.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.758 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.471 HD12 HD12 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -99.59 -49.09 4.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.38 . . . . 0.0 110.987 -179.798 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.444 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -78.53 -19.13 53.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.719 -179.336 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.624 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -55.15 -54.94 36.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 111.152 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 tpt85 -82.19 -39.39 23.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.912 ' OD1' HD12 ' A' ' 19' ' ' LEU . 38.8 t30 -56.71 -48.88 76.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -54.84 -31.57 59.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.968 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.04 -54.84 8.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.993 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.952 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.8 OUTLIER -59.28 -53.67 55.57 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.531 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.655 ' HG3' HD11 ' A' ' 19' ' ' LEU . 3.1 ttmt -41.97 -30.38 0.27 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.468 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -85.23 -40.04 17.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.989 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.517 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.3 -18.3 25.84 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.767 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.952 HG23 ' O ' ' B' ' 19' ' ' LEU . 92.7 t -43.64 -58.99 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 120.785 0.326 . . . . 0.0 111.425 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.12 -28.72 69.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.917 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.41 -36.14 73.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.589 HD12 HG13 ' A' ' 23' ' ' VAL . 83.2 mt -67.01 -60.56 2.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.779 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -36.91 65.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.241 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -65.38 -41.6 93.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.818 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -31.19 71.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.62 59.71 4.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 O-C-N 122.706 -0.29 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.29 123.29 16.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.68 -66.23 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.475 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.94 -52.87 47.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.438 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -52.71 -36.87 58.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.103 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.803 HD13 ' HB2' ' B' ' 6' ' ' LYS . 31.9 mt -74.71 -31.33 61.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.517 ' HG2' HD13 ' B' ' 5' ' ' LEU . 26.5 mt-10 -78.25 -35.16 48.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.771 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -29.43 47.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.801 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.588 ' HG2' HG11 ' B' ' 9' ' ' VAL . 52.5 tt0 -58.49 -25.78 62.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.825 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.713 HG22 HG22 ' B' ' 9' ' ' VAL . 74.0 t -73.55 -60.75 2.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.579 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.37 -26.21 11.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -68.92 -47.59 65.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.742 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.549 HD12 HG13 ' B' ' 9' ' ' VAL . 19.2 mt -83.23 -32.74 26.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -59.99 -24.45 64.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.958 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.03 -35.61 15.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.041 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HG3' HD11 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -86.17 -55.34 3.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.416 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 48.4 t30 -50.42 -29.26 9.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -86.81 -44.6 11.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -63.7 -19.81 65.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.413 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.912 ' O ' HG23 ' A' ' 23' ' ' VAL . 35.3 mt -93.65 -55.48 3.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.798 0.332 . . . . 0.0 111.088 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -46.48 -28.88 1.52 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.402 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.53 -29.78 19.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.96 -35.84 25.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 19' ' ' LEU . 9.5 t -59.74 -30.18 44.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.012 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.44 -30.5 71.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -87.36 -34.64 18.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.791 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.652 HD22 ' HB3' ' B' ' 27' ' ' ARG . 96.3 mt -58.18 -66.32 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' HB3' HD13 ' B' ' 26' ' ' LEU . 0.1 OUTLIER -90.05 51.85 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.783 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -59.01 -44.82 91.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.014 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.41 -46.33 55.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.89 -80.89 0.67 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 O-C-N 122.707 -0.29 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 0' ' ' ACE . . . . . 0.779 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.534 ' N ' ' HB3' ' B' ' 4' ' ' ALA . 1.5 mp0 -90.08 -166.71 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' B' ' 6' ' ' LYS . 98.2 t -46.54 -91.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.306 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.513 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 2.9 tt0 -48.19 -37.63 16.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.047 0.451 . . . . 0.0 110.995 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.534 ' HB3' ' N ' ' B' ' 1' ' ' GLU . . . -55.79 -35.64 66.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.894 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.779 HD12 ' O ' ' B' ' 0' ' ' ACE . 4.6 mt -111.52 -8.91 14.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.296 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.803 ' HB2' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -81.57 -34.24 31.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.82 -179.246 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -89.23 -19.22 25.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.29 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.559 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -74.73 -26.49 59.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.707 0.289 . . . . 0.0 111.089 -179.823 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.713 HG22 HG22 ' A' ' 9' ' ' VAL . 57.3 t -63.18 -45.85 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.229 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.662 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 2.6 pt20 -52.4 -25.53 10.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.148 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.92 -12.39 60.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.7 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.407 HD11 HG13 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -98.59 -49.56 4.58 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.875 0.369 . . . . 0.0 111.127 -179.806 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.413 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.11 -19.49 56.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.642 -179.42 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -55.61 -56.74 16.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.867 0.365 . . . . 0.0 111.182 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -82.06 -41.4 20.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.051 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.425 ' OD1' HD12 ' A' ' 19' ' ' LEU . 34.5 t-20 -54.22 -42.93 70.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -53.67 -36.5 62.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.932 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.43 -46.89 45.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.895 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.7 OUTLIER -65.86 -55.3 17.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.578 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -43.03 -29.92 0.38 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.407 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -81.75 -42.02 20.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.569 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -19.37 24.21 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.217 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.895 HG23 ' O ' ' B' ' 19' ' ' LEU . 62.1 t -45.39 -60.62 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.748 0.308 . . . . 0.0 111.3 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.438 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 9.0 mt-30 -63.17 -34.48 77.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.652 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.79 97.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.477 HD12 HG13 ' A' ' 23' ' ' VAL . 46.4 mt -61.44 -62.98 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.652 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -51.21 -26.22 6.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.445 -179.846 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.25 -61.59 1.95 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.358 . . . . 0.0 110.955 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.29 109.93 14.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.9 178.74 23.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.549 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 0 O-C-N 122.79 -0.241 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 2' ' ' VAL . 2.8 pm0 -90.19 -7.66 53.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.518 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 1' ' ' GLU . 52.4 t -29.93 -62.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.969 179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.45 -48.56 81.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.042 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -52.04 -28.44 17.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.608 ' CD1' HG12 ' B' ' 2' ' ' VAL . 39.7 mt -89.84 -38.41 13.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.426 ' HG2' HD13 ' B' ' 5' ' ' LEU . 3.2 mt-10 -65.27 -51.57 59.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.805 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -59.53 -27.99 66.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.765 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.663 ' HG2' HG11 ' B' ' 9' ' ' VAL . 51.5 tt0 -58.06 -26.47 62.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.695 HG13 HD11 ' B' ' 12' ' ' LEU . 99.2 t -77.27 -59.07 3.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.697 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.5 -25.5 16.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.964 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.28 -48.6 77.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.665 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.445 HD13 ' N ' ' B' ' 13' ' ' LYS . 17.2 mt -83.5 -41.09 18.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.811 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -46.38 -27.56 1.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.177 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.92 -49.3 12.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.393 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.429 ' CG ' ' HA ' ' A' ' 12' ' ' LEU . 2.8 pt-20 -78.43 -46.24 20.29 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.55 -179.336 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.427 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 41.6 t30 -55.27 -31.77 61.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.851 0.357 . . . . 0.0 110.971 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -89.27 -36.65 15.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.696 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -64.14 -40.75 96.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.897 ' O ' HG23 ' A' ' 23' ' ' VAL . 37.5 mt -72.31 -45.66 59.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -47.36 -29.03 2.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.86 0.362 . . . . 0.0 111.199 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -95.73 -29.03 14.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -80.03 -25.79 40.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 19' ' ' LEU . 20.1 t -77.2 -30.54 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.72 -30.92 69.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.022 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -90.38 -30.54 17.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.454 HD22 ' CB ' ' B' ' 27' ' ' ARG . 25.0 mt -66.36 -46.54 76.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.563 ' HB3' HD22 ' B' ' 26' ' ' LEU . 1.3 pp20? -90.34 43.62 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.161 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -90.07 -42.98 10.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -86.52 56.09 3.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.48 -172.37 14.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 O-C-N 122.807 -0.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 0' ' ' ACE . . . . . 0.703 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.231 0.102 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.714 ' N ' ' HB3' ' B' ' 4' ' ' ALA . 0.5 OUTLIER -87.66 -160.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.662 0.268 . . . . 0.0 111.125 . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.608 HG12 ' CD1' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -37.47 -86.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.059 -179.538 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.445 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 0.1 OUTLIER -56.19 -40.25 73.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.776 0.322 . . . . 0.0 111.342 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.714 ' HB3' ' N ' ' B' ' 1' ' ' GLU . . . -51.41 -29.56 16.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.756 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.703 HD12 ' O ' ' B' ' 0' ' ' ACE . 8.1 mt -112.09 -44.32 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.675 0.75 . . . . 0.0 109.923 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.445 ' HB3' ' HA ' ' B' ' 3' ' ' GLN . 13.0 ttpp -49.9 -29.4 8.18 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.296 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -89.91 -21.71 22.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.598 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.496 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -74.82 -24.43 58.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.761 0.315 . . . . 0.0 111.112 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.663 HG11 ' HG2' ' A' ' 8' ' ' GLU . 60.9 t -57.49 -49.0 81.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.218 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.57 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 3.7 pt20 -50.73 -27.34 6.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.233 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.44 -14.24 62.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.725 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.695 HD11 HG13 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -99.19 -45.96 5.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.839 0.352 . . . . 0.0 111.027 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.445 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.94 -17.24 53.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.72 -179.413 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -61.8 -59.35 5.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 111.05 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.22 -29.33 34.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.439 ' OD1' HD12 ' A' ' 19' ' ' LEU . 24.3 t30 -65.61 -46.99 77.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.949 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -54.57 -32.53 58.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.59 -45.39 75.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.883 ' O ' HG23 ' B' ' 23' ' ' VAL . 1.0 OUTLIER -65.57 -50.81 63.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.85 0.357 . . . . 0.0 110.097 179.573 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.79 -29.65 0.82 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.381 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -79.19 -41.68 27.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.672 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.601 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.25 -24.54 20.91 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -179.336 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.883 HG23 ' O ' ' B' ' 19' ' ' LEU . 54.1 t -42.74 -61.08 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.734 0.302 . . . . 0.0 111.434 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.552 ' HA ' ' HD3' ' B' ' 27' ' ' ARG . 8.1 pt20 -64.94 -15.46 62.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.276 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' B' ' 22' ' ' LYS . . . -82.93 -25.26 32.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.922 0.392 . . . . 0.0 110.59 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.739 ' CD1' HG13 ' A' ' 23' ' ' VAL . 56.4 mt -79.08 -52.05 8.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.291 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.552 ' HD3' ' HA ' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -49.16 -29.18 5.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.31 -179.457 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -81.4 -63.77 1.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.95 124.84 24.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.84 -122.65 3.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.559 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 O-C-N 122.834 -0.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -78.31 99.06 6.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.4 t -90.03 -51.98 11.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.246 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.7 -35.66 70.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.281 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.34 -32.96 74.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.472 HD13 ' HB2' ' B' ' 6' ' ' LYS . 53.6 mt -87.69 -30.6 20.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -58.54 -55.99 27.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -25.25 66.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.091 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.49 ' HG2' HG11 ' B' ' 9' ' ' VAL . 61.7 tt0 -56.77 -28.64 61.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.815 0.34 . . . . 0.0 110.715 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.713 HG13 HD11 ' B' ' 12' ' ' LEU . 72.3 t -79.75 -55.84 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.406 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.77 -27.82 31.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.51 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -63.34 -49.27 74.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.61 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.478 HD12 HG13 ' B' ' 9' ' ' VAL . 18.8 mt -82.9 -34.72 26.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -56.67 -25.08 52.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.959 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.1 -38.26 13.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.007 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.67 -55.08 4.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' LEU . 53.9 t30 -52.89 -29.67 29.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.235 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -80.95 -43.88 19.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -60.83 -27.58 68.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.174 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.902 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.3 mt -88.94 -54.83 3.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.121 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.5 -28.09 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.494 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.72 -27.78 19.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.186 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -86.51 -33.05 20.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.082 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 19' ' ' LEU . 9.0 t -66.83 -29.89 47.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.18 -16.21 61.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.55 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -112.54 -29.1 7.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.661 0.267 . . . . 0.0 111.242 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 26' ' ' LEU . 36.4 mt -62.46 -76.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.11 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.65 ' HB3' HD13 ' B' ' 26' ' ' LEU . 2.3 pp20? -63.28 -33.68 76.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.106 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -69.41 -64.06 0.95 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -85.29 123.69 31.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -138.52 -115.13 1.3 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.519 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 O-C-N 122.726 -0.279 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 0' ' ' ACE . . . . . 0.66 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.681 ' N ' ' HB3' ' B' ' 4' ' ' ALA . 12.7 mt-10 -87.79 -162.28 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 0.0 111.213 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.46 HG23 ' H ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -38.72 -87.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.043 -179.568 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.46 ' H ' HG23 ' B' ' 2' ' ' VAL . 10.0 mt-30 -55.41 -37.99 68.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.976 0.417 . . . . 0.0 111.385 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.681 ' HB3' ' N ' ' B' ' 1' ' ' GLU . . . -55.18 -28.87 56.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.607 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.686 HD23 ' HG2' ' B' ' 8' ' ' ARG . 8.9 mt -112.35 -45.73 3.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.65 0.738 . . . . 0.0 109.809 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.472 ' HB2' HD13 ' A' ' 5' ' ' LEU . 1.1 ttpp -45.68 -36.63 5.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.625 -1.171 . . . . 0.0 111.125 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.437 ' HD3' ' O ' ' B' ' 3' ' ' GLN . 0.1 OUTLIER -84.3 -39.23 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.844 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.686 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -58.72 -25.12 62.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.658 HG22 HG22 ' A' ' 9' ' ' VAL . 58.9 t -65.98 -44.69 92.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.598 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 1.4 pp0? -53.05 -25.17 11.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.104 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.39 -5.31 44.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.742 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.713 HD11 HG13 ' A' ' 9' ' ' VAL . 0.7 OUTLIER -108.04 -48.25 3.41 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.917 0.389 . . . . 0.0 111.109 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.411 ' HB3' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -78.27 -19.11 54.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.686 -179.426 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -57.11 -48.6 78.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.824 0.345 . . . . 0.0 111.335 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -38.59 14.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.41 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 49.3 t-20 -56.67 -41.76 77.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.173 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -51.52 -37.53 49.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.059 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.81 -47.65 37.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.043 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.763 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.7 OUTLIER -64.33 -53.66 45.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.955 0.407 . . . . 0.0 110.14 179.737 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -44.89 -27.29 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.472 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.07 -43.33 11.77 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.275 -0.421 . . . . 0.0 112.007 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.688 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.11 -33.85 16.11 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.8 HG22 HG22 ' A' ' 23' ' ' VAL . 53.4 t -38.62 -63.67 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -179.261 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -55.26 -29.38 57.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.12 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' B' ' 22' ' ' LYS . . . -72.14 -38.77 69.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.085 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.688 HD11 ' HD3' ' B' ' 22' ' ' LYS . 28.5 mt -67.43 -39.88 85.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -82.42 0.7 40.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.465 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.06 -35.59 15.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.853 0.358 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -76.56 -46.56 25.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -94.17 44.3 2.33 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.373 0 O-C-N 122.736 -0.273 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.38 116.43 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.788 0.328 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.6 t -83.07 -50.98 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.76 -36.83 70.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.074 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -59.1 -49.78 76.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.761 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 1.049 HD12 HG12 ' B' ' 2' ' ' VAL . 20.4 mt -73.8 -27.57 61.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.733 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -54.2 -44.25 71.43 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.07 -29.15 70.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.713 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.575 ' HG2' HG21 ' B' ' 9' ' ' VAL . 25.0 tt0 -58.19 -27.3 63.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.494 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.777 HG13 HD11 ' B' ' 12' ' ' LEU . 99.1 t -84.79 -48.59 16.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.155 179.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.62 -27.26 64.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.396 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -58.74 -63.56 1.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.579 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.507 HD13 ' N ' ' B' ' 13' ' ' LYS . 53.3 mt -66.96 -39.73 87.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.639 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -48.55 -28.36 3.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.869 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.24 -42.22 16.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.713 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -76.7 -57.45 3.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.525 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -49.39 -28.31 4.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.023 179.627 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -73.8 -33.29 64.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.484 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -63.21 -28.69 70.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.99 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.775 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.1 mt -92.34 -56.53 3.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -46.66 -31.41 2.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -70.74 -36.17 73.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -88.26 -27.35 21.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.445 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 19' ' ' LEU . 11.6 t -80.68 -51.18 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.465 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.23 -39.91 88.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.555 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -70.58 -43.81 68.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.585 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.733 HD13 ' HB2' ' B' ' 26' ' ' LEU . 11.7 mt -54.99 -69.5 0.13 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.208 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.714 ' HG2' HD13 ' B' ' 26' ' ' LEU . 0.4 OUTLIER -90.09 52.87 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.819 -179.605 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -89.95 -5.31 56.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.517 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -47.93 -36.1 11.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.787 0.327 . . . . 0.0 111.291 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 62.94 122.22 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.563 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 O-C-N 122.674 -0.309 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 0' ' ' ACE . . . . . 0.61 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.654 ' N ' ' HB3' ' B' ' 4' ' ' ALA . 6.7 pt-20 -90.22 -171.9 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 111.249 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 1.049 HG12 HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -40.08 -82.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.003 -179.702 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.519 ' H ' HG23 ' B' ' 2' ' ' VAL . 17.5 tt0 -53.82 -25.09 17.81 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.547 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.654 ' HB3' ' N ' ' B' ' 1' ' ' GLU . . . -76.18 -24.69 54.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.446 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.61 HD12 ' O ' ' B' ' 0' ' ' ACE . 4.8 mt -110.39 -44.94 3.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.718 0.771 . . . . 0.0 109.68 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' B' ' 2' ' ' VAL . 0.1 OUTLIER -47.48 -45.07 25.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.471 -1.24 . . . . 0.0 111.37 179.337 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -6.51 58.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.545 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.503 ' HE ' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -89.4 -24.92 21.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.782 0.325 . . . . 0.0 111.251 -179.862 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.575 HG21 ' HG2' ' A' ' 8' ' ' GLU . 69.1 t -53.45 -46.59 59.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.61 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 12.8 pt20 -54.06 -24.33 16.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.049 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' B' ' 8' ' ' ARG . . . -73.98 -22.32 59.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.543 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.777 HD11 HG13 ' A' ' 9' ' ' VAL . 1.1 mt -89.37 -39.42 13.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.892 0.377 . . . . 0.0 110.853 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.526 ' HA ' ' HB3' ' B' ' 16' ' ' ASN . 0.0 OUTLIER -85.77 -21.08 28.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.526 -179.597 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -53.8 -46.34 71.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.015 0.436 . . . . 0.0 110.514 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.761 ' HD2' HD21 ' B' ' 19' ' ' LEU . 0.0 OUTLIER -88.35 -54.75 4.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.777 178.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.526 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 45.7 t30 -38.9 -33.51 0.12 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.655 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -67.67 -66.8 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.961 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.49 -54.38 37.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.068 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.945 ' O ' HG23 ' B' ' 23' ' ' VAL . 10.9 mt -48.67 -51.12 30.08 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.704 0.288 . . . . 0.0 110.634 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.597 ' CD ' HD11 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -41.57 -32.7 0.38 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.313 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -87.63 -41.12 13.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.139 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.505 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.55 -4.93 56.54 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.567 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.945 HG23 ' O ' ' B' ' 19' ' ' LEU . 59.1 t -49.15 -52.42 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.714 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.419 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 3.5 pt20 -69.69 -29.23 66.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.702 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.9 -32.95 74.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.774 ' CD1' HG13 ' A' ' 23' ' ' VAL . 19.1 mt -67.91 -55.01 14.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.5 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -64.14 -26.54 68.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.427 -179.651 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -90.39 14.85 11.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.46 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.06 -67.22 0.75 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.83 0.347 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.2 -175.08 2.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.54 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 O-C-N 122.745 -0.268 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.56 123.06 24.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.912 0.387 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.5 t -85.46 -57.56 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.211 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.41 -34.08 60.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.174 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -60.41 -41.63 94.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.796 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.66 HD13 ' HB2' ' B' ' 6' ' ' LYS . 40.4 mt -76.95 -33.54 57.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.66 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -58.81 -33.87 70.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.605 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -80.51 -27.7 37.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.505 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.571 ' HG2' HG11 ' B' ' 9' ' ' VAL . 60.3 tt0 -55.81 -28.32 55.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.662 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.578 HG13 HD11 ' B' ' 12' ' ' LEU . 96.0 t -75.64 -55.34 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.557 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.07 -26.83 61.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.629 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -64.94 -57.67 8.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.655 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.603 HD12 HG13 ' B' ' 9' ' ' VAL . 42.2 mt -68.86 -31.41 70.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.793 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -58.62 -28.25 65.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.595 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.16 -39.24 12.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.68 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -77.46 -57.02 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.667 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 12' ' ' LEU . 44.5 t30 -50.65 -32.47 19.2 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -83.31 -28.55 28.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -74.67 -26.37 59.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.164 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.89 ' O ' HG23 ' A' ' 23' ' ' VAL . 48.7 mt -95.77 -51.68 4.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.113 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -48.43 -28.88 3.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 111.074 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -28.4 21.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.49 -38.27 20.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.879 0.371 . . . . 0.0 110.833 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 19' ' ' LEU . 5.4 t -63.52 -31.15 51.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.724 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.46 -13.04 61.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.202 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.449 ' HA ' ' HG2' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -116.65 -2.92 11.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.322 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.0 mt -97.54 -52.95 3.6 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 120.677 0.275 . . . . 0.0 111.58 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.541 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.15 -36.37 14.86 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.139 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -78.34 -91.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.081 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' HA ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -90.09 172.66 8.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.784 0.326 . . . . 0.0 110.731 179.764 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 178.01 69.32 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.507 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 O-C-N 122.732 -0.275 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 0' ' ' ACE . . . . . 0.605 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.23 0.068 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.711 ' N ' ' HB3' ' B' ' 4' ' ' ALA . 4.8 pt-20 -84.62 -170.31 3.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.722 0.296 . . . . 0.0 111.273 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.468 HG23 ' H ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -33.02 -80.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.898 -179.717 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.468 ' H ' HG23 ' B' ' 2' ' ' VAL . 16.9 pt20 -58.94 -46.55 87.73 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.9 0.381 . . . . 0.0 111.154 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.711 ' HB3' ' N ' ' B' ' 1' ' ' GLU . . . -47.88 -26.89 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.846 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.605 HD12 ' O ' ' B' ' 0' ' ' ACE . 10.4 mt -112.39 -46.97 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.659 0.742 . . . . 0.0 109.684 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.66 ' HB2' HD13 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -49.03 -30.98 6.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.508 -1.223 . . . . 0.0 110.879 179.301 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.411 ' HD2' ' O ' ' B' ' 3' ' ' GLN . 0.6 OUTLIER -81.28 -27.08 35.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.196 -179.895 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.422 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -76.07 -25.57 55.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.757 0.313 . . . . 0.0 110.892 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.603 HG13 HD12 ' A' ' 12' ' ' LEU . 59.7 t -62.16 -30.04 47.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.581 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 3.0 pp0? -60.21 -21.06 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.985 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.25 6.37 19.8 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.783 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.578 HD11 HG13 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -121.52 -39.94 2.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.772 0.32 . . . . 0.0 110.877 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.401 ' HA ' ' HB3' ' B' ' 16' ' ' ASN . 0.0 OUTLIER -88.87 -21.4 23.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.444 -179.775 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -53.63 -58.53 6.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.878 0.371 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -41.53 59.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.401 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 58.4 t-20 -56.89 -49.59 75.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.023 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -48.5 -39.37 22.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.081 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.43 -48.85 66.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.939 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.6 OUTLIER -67.21 -52.77 37.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 109.982 179.72 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -42.05 -30.5 0.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.62 -39.79 36.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.315 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.564 ' HG2' ' HA ' ' B' ' 19' ' ' LEU . 13.6 ptmt -88.19 -41.22 13.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.944 -179.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.939 HG23 ' O ' ' B' ' 19' ' ' LEU . 39.8 t -31.29 -56.3 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -60.01 -46.02 90.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' B' ' 22' ' ' LYS . . . -58.83 -38.81 79.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.541 HD22 ' HB3' ' A' ' 27' ' ' GLU . 23.7 mt -66.59 -58.32 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.603 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -60.39 -47.65 85.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -60.26 -26.59 66.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -55.73 108.33 0.43 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.043 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 162.87 42.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 O-C-N 122.686 -0.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.045 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -82.84 125.92 31.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.486 HG13 ' OE1' ' B' ' 1' ' ' GLU . 21.4 t -67.11 -51.2 56.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.29 -37.44 77.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -59.43 -35.55 74.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.509 HD22 ' HA ' ' B' ' 6' ' ' LYS . 15.8 mt -84.57 -36.3 22.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.858 ' HG2' HD13 ' B' ' 5' ' ' LEU . 2.9 mt-10 -62.16 -46.59 88.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -63.27 -36.84 85.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.715 ' HG2' HG11 ' B' ' 9' ' ' VAL . 1.5 tt0 -63.07 -19.26 64.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.097 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.603 HG22 HG22 ' B' ' 9' ' ' VAL . 77.3 t -77.21 -59.96 2.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.766 0.317 . . . . 0.0 110.544 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.16 -26.38 50.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.74 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -64.61 -45.87 85.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.64 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 19.9 mt -86.42 -32.5 20.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.032 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -59.67 -23.96 63.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.138 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.17 -34.14 15.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.184 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -89.43 -53.28 4.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 12' ' ' LEU . 48.3 t30 -49.55 -30.14 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.283 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -85.06 -30.87 23.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.101 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -70.04 -31.25 68.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.351 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.799 ' O ' HG23 ' A' ' 23' ' ' VAL . 52.8 mt -87.0 -38.46 16.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.093 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -53.8 -25.98 21.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.123 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -95.68 -24.61 16.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.134 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -89.96 -23.1 21.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.228 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.809 HG21 ' HB3' ' B' ' 19' ' ' LEU . 15.9 t -90.02 -28.22 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.265 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.64 -26.0 20.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.516 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -104.46 -40.05 6.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.136 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.433 ' HB3' ' CB ' ' B' ' 26' ' ' LEU . 80.2 mt -59.17 -33.25 70.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.871 ' HA ' HD22 ' B' ' 26' ' ' LEU . 0.4 OUTLIER -90.19 50.39 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.919 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -70.24 -29.68 66.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -61.04 -43.48 98.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.831 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.16 -117.23 1.69 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 O-C-N 122.758 -0.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.848 ' CD ' HD12 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -90.64 22.09 3.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.569 0.223 . . . . 0.0 111.559 . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.686 ' O ' ' CB ' ' B' ' 6' ' ' LYS . 21.4 t -49.19 -17.68 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.508 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -93.94 -71.05 0.68 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.23 0.538 . . . . 0.0 112.031 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.31 -17.35 7.48 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.765 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.858 HD13 ' HG2' ' A' ' 6' ' ' GLU . 10.7 mt -105.45 -11.29 16.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.459 0.647 . . . . 0.0 110.323 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.686 ' CB ' ' O ' ' B' ' 2' ' ' VAL . 0.1 OUTLIER -89.78 -70.55 0.66 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.993 -179.193 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.4 -26.19 40.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.948 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.738 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -64.6 -31.6 72.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.944 -179.813 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.715 HG11 ' HG2' ' A' ' 8' ' ' GLU . 99.6 t -61.78 -48.93 86.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.539 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.699 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 1.9 mt-30 -55.54 -24.28 31.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.777 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.43 -20.65 54.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.465 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.454 HD12 HD12 ' A' ' 12' ' ' LEU . 0.7 OUTLIER -87.75 -47.64 8.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.094 0.473 . . . . 0.0 110.38 179.827 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.74 -23.22 49.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.593 -179.508 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -53.25 -58.48 6.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.92 0.39 . . . . 0.0 110.861 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.416 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 3.3 tpt180 -74.84 -49.61 19.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.468 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.578 ' OD1' HD12 ' A' ' 19' ' ' LEU . 38.8 t-20 -49.6 -52.52 29.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.2 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -51.29 -40.7 59.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.944 0.402 . . . . 0.0 110.714 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.42 -48.94 73.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.608 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.952 ' O ' HG23 ' B' ' 23' ' ' VAL . 1.3 mt -61.3 -56.44 20.49 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.422 ' HD3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -39.17 -31.2 0.07 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.683 179.539 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -83.17 -41.75 18.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.878 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.543 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.1 OUTLIER -90.31 -23.73 21.07 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.716 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.952 HG23 ' O ' ' B' ' 19' ' ' LEU . 65.8 t -41.38 -66.78 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 120.72 0.295 . . . . 0.0 111.388 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -57.89 -31.05 66.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.711 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' B' ' 22' ' ' LYS . . . -66.61 -39.87 88.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.749 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.871 HD22 ' HA ' ' A' ' 27' ' ' GLU . 76.7 mt -60.6 -64.1 1.07 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.525 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -29.47 63.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.077 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.35 -31.14 70.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.835 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -60.42 3.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.74 -105.69 0.69 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.474 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 O-C-N 122.747 -0.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.177 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -90.48 25.52 2.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.733 0.301 . . . . 0.0 111.462 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 86.4 t -44.05 -57.34 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.391 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' ' 7' ' ' LYS . . . -55.11 -43.89 74.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -25.8 7.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.79 ' CD1' HG13 ' B' ' 2' ' ' VAL . 13.8 mt -97.52 -33.57 11.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.949 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.486 ' HG2' HD13 ' B' ' 5' ' ' LEU . 2.5 mt-10 -61.14 -66.37 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.723 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 3' ' ' ALA . 0.4 OUTLIER -56.7 -21.77 30.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.949 179.763 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 50.8 tt0 -57.63 -31.08 65.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.88 0.371 . . . . 0.0 110.2 179.247 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.595 HG13 HD11 ' B' ' 12' ' ' LEU . 12.4 t -78.83 -48.54 21.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.933 178.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.85 -30.38 5.73 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 121.324 0.583 . . . . 0.0 109.614 178.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.24 -73.9 0.12 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.48 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.021 HD12 HD12 ' B' ' 12' ' ' LEU . 0.6 OUTLIER -38.36 -61.47 0.68 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.368 179.318 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.806 ' HG3' HD13 ' B' ' 12' ' ' LEU . 50.6 mt-10 -52.58 -30.01 28.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.349 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.49 -36.75 16.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.168 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -90.14 -53.99 4.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.827 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.632 ' N ' ' O ' ' A' ' 12' ' ' LEU . 52.5 t-20 -47.94 -28.71 2.85 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.795 0.331 . . . . 0.0 110.907 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -80.67 -45.87 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.18 -41.96 60.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.891 ' O ' HG23 ' A' ' 23' ' ' VAL . 94.6 mt -73.59 -51.47 16.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.655 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -49.23 -28.24 4.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.24 -28.64 27.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -89.4 -29.56 18.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 19' ' ' LEU . 10.3 t -75.04 -27.81 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.135 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.25 -26.9 53.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.3 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -95.74 -33.15 12.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.953 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' A' ' 23' ' ' VAL . 50.3 mt -59.61 -69.22 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.948 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.585 ' HB3' HD22 ' B' ' 26' ' ' LEU . 7.9 pt-20 -87.35 55.63 3.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -67.42 -64.98 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.963 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -85.54 -31.17 22.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.96 -38.18 2.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.454 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 O-C-N 122.753 -0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 0' ' ' ACE . . . . . 0.709 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.23 0.042 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.639 ' H ' ' HB3' ' B' ' 4' ' ' ALA . 9.4 mm-40 -90.17 -162.96 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.707 0.289 . . . . 0.0 111.208 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.79 HG13 ' CD1' ' A' ' 5' ' ' LEU . 99.7 t -42.43 -86.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.163 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.637 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.478 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 8.5 pt20 -56.59 -38.58 72.2 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.698 0.285 . . . . 0.0 111.378 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.639 ' HB3' ' H ' ' B' ' 1' ' ' GLU . . . -53.77 -29.93 42.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.68 -179.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.709 HD12 ' O ' ' B' ' 0' ' ' ACE . 8.5 mt -110.01 -43.45 3.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.686 0.755 . . . . 0.0 109.637 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.619 ' CD ' HD22 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -51.69 -44.4 63.12 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.352 -1.295 . . . . 0.0 111.242 179.601 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -76.55 -24.52 53.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.328 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.49 ' CD ' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -68.71 -25.63 64.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.107 -179.771 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 1.005 HG13 HD11 ' A' ' 12' ' ' LEU . 77.1 t -58.0 -31.82 42.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-O 121.132 0.491 . . . . 0.0 109.876 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.788 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 41.2 mt-30 -66.48 -12.51 57.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.934 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -91.26 -31.87 15.96 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 1.021 HD12 HD12 ' A' ' 12' ' ' LEU . 1.1 mt -91.41 -85.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.674 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.79 ' CD ' HD22 ' A' ' 12' ' ' LEU . 8.1 tptt -43.0 -29.62 0.35 Allowed 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 123.435 0.694 . . . . 0.0 112.753 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.788 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -43.07 -38.51 2.38 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 121.295 0.569 . . . . 0.0 110.634 -177.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.802 ' CD ' HD11 ' B' ' 19' ' ' LEU . 5.1 tmm_? -90.34 -30.15 17.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.175 178.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.634 ' OD1' HD12 ' A' ' 19' ' ' LEU . 63.9 t-20 -60.7 -50.93 71.51 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.938 0.399 . . . . 0.0 111.091 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -53.61 -30.3 41.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.273 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.51 -55.44 5.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.282 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.802 HD11 ' CD ' ' B' ' 15' ' ' ARG . 1.1 mt -58.74 -52.32 66.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.791 0.329 . . . . 0.0 110.188 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.51 ' CD ' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -44.5 -29.34 0.69 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.597 179.741 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -86.01 -40.11 16.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.854 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.471 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.46 -5.56 55.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -178.823 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.7 HG23 ' O ' ' B' ' 19' ' ' LEU . 19.7 t -43.54 -65.53 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-O 120.748 0.309 . . . . 0.0 111.356 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -67.69 -32.1 72.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.601 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.429 ' HB3' ' HA ' ' B' ' 22' ' ' LYS . . . -62.14 -31.73 72.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.68 HD12 HG13 ' A' ' 23' ' ' VAL . 22.8 mt -69.54 -63.6 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.745 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.443 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -53.4 -41.43 65.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.192 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -60.92 -51.89 67.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -73.15 97.85 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.47 56.45 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.444 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 O-C-N 122.693 -0.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.421 ' HA ' ' CH3' ' B' ' 0' ' ' ACE . 0.5 OUTLIER -89.79 176.41 6.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.911 0.386 . . . . 0.0 110.769 . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.578 ' N ' ' O ' ' B' ' 0' ' ' ACE . 42.4 t -63.26 -40.9 90.77 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-O 121.287 0.565 . . . . 0.0 109.924 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.408 ' O ' ' HD3' ' A' ' 7' ' ' LYS . . . -58.15 -32.69 68.42 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.274 178.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -71.86 -38.16 70.1 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.604 178.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.855 HD11 ' O ' ' B' ' 1' ' ' GLU . 10.5 mt -50.05 -47.01 53.64 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -45.94 67.13 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.95 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 1.3 mptt -66.96 -26.72 66.96 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.251 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.433 ' HG2' HG11 ' B' ' 9' ' ' VAL . 1.5 tt0 -71.11 -21.76 62.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.988 178.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.903 HG21 ' NE ' ' B' ' 8' ' ' ARG . 43.8 t -76.36 -59.25 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.331 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.7 -29.34 17.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.981 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.27 -56.46 20.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.457 179.238 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.572 HD12 HG13 ' B' ' 9' ' ' VAL . 61.2 mt -70.37 -31.57 68.87 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.866 0.365 . . . . 0.0 110.696 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -59.72 -25.72 65.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.662 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.04 -35.8 15.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.766 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -82.97 -57.78 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.591 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 12' ' ' LEU . 37.9 t30 -47.71 -31.05 4.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -82.75 -39.64 21.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.834 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.98 -27.84 68.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.246 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.885 ' O ' HG23 ' A' ' 23' ' ' VAL . 62.0 mt -90.37 -52.34 4.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.161 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -47.7 -28.34 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 111.35 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.45 -28.5 16.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.154 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.06 -33.54 24.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.995 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 19' ' ' LEU . 22.1 t -62.86 -32.9 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.033 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.65 -27.7 68.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.035 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -93.24 -34.33 13.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 23' ' ' VAL . 63.2 mt -57.63 -57.2 13.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.55 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.1 OUTLIER -90.04 51.34 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -83.76 -59.39 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.37 -31.19 29.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.69 126.33 7.71 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.575 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 O-C-N 122.698 -0.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 0' ' ' ACE . . . . . 0.578 ' O ' ' N ' ' A' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.222 -0.361 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.855 ' O ' HD11 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -90.14 4.63 49.85 Favored 'General case' 0 CA--C 1.474 -1.956 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 1.124 ' O ' ' N ' ' B' ' 4' ' ' ALA . 2.4 p -27.69 117.82 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.421 -1.889 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.317 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.559 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -31.02 1.61 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.854 0 O-C-N 124.682 1.239 . . . . 0.0 110.309 178.799 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 1.124 ' N ' ' O ' ' B' ' 2' ' ' VAL . . . -45.91 -50.51 14.47 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.419 177.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.744 ' O ' HG23 ' B' ' 9' ' ' VAL . 5.9 mt -123.22 -9.18 8.14 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.243 -1.799 . . . . 0.0 108.709 177.15 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.816 ' N ' HD13 ' A' ' 5' ' ' LEU . 8.7 ttpp -81.1 -20.92 40.42 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.363 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.421 ' HB3' ' CG ' ' B' ' 3' ' ' GLN . 2.0 ptmt -78.89 -20.48 49.36 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 177.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.903 ' NE ' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -90.05 -30.13 17.93 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.119 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.774 HG22 HG22 ' A' ' 9' ' ' VAL . 91.6 t -63.81 -31.31 52.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.599 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.651 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 4.5 mt-30 -59.74 -21.82 61.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.053 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.7 2.67 25.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.947 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.785 HD11 HG13 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -113.93 -50.43 2.83 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.897 0.379 . . . . 0.0 110.822 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.427 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -78.94 -19.09 52.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.596 -179.652 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -55.82 -62.33 1.77 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.898 0.38 . . . . 0.0 111.035 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -71.05 -39.11 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.767 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.884 ' OD1' HD12 ' A' ' 19' ' ' LEU . 41.4 t-20 -60.43 -43.1 97.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.955 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -52.17 -36.87 52.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.142 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.05 -49.67 48.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.863 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.9 OUTLIER -65.67 -51.58 58.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.837 0.351 . . . . 0.0 110.091 179.623 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.63 ' HG3' HD11 ' A' ' 19' ' ' LEU . 5.5 tttm -45.76 -29.72 1.4 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.287 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.87 -42.37 21.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.634 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -14.49 33.4 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.144 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.863 HG23 ' O ' ' B' ' 19' ' ' LEU . 42.5 t -46.82 -67.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.798 0.332 . . . . 0.0 111.187 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -59.78 -29.12 67.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.867 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.67 -38.87 84.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.028 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.55 HD22 ' HB3' ' A' ' 27' ' ' GLU . 39.1 mt -62.58 -61.0 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.527 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -56.17 -31.35 63.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -64.75 -30.87 71.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.923 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.14 -46.38 11.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -160.94 93.36 0.12 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.554 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 O-C-N 122.721 -0.282 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -90.08 148.61 22.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.914 0.387 . . . . 0.0 110.799 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.8 t -55.93 -48.02 79.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.252 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.56 -35.72 75.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -56.47 -39.07 72.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.686 HD13 ' HB2' ' B' ' 6' ' ' LYS . 46.6 mt -70.67 -31.51 68.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -62.89 -39.86 95.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -75.17 -30.55 60.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.748 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.691 ' HG2' HG11 ' B' ' 9' ' ' VAL . 28.3 tt0 -58.63 -25.4 62.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.719 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.616 HG13 HD11 ' B' ' 12' ' ' LEU . 93.8 t -81.53 -55.03 8.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.416 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.82 -25.95 21.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.652 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -65.08 -47.58 76.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.424 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.452 HD12 HG13 ' B' ' 9' ' ' VAL . 19.6 mt -85.99 -48.47 8.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.693 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -46.83 -28.67 1.64 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.225 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.66 -31.51 22.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.096 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' OE2' HD11 ' A' ' 19' ' ' LEU . 5.7 tm-20 -90.06 -56.41 3.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' LEU . 40.2 t30 -49.63 -44.58 47.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.202 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -67.63 -41.99 83.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.98 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -59.79 -32.2 70.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.86 ' O ' HG23 ' A' ' 23' ' ' VAL . 68.8 mt -89.64 -45.81 9.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.09 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -47.01 -28.73 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.339 . . . . 0.0 111.263 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.0 tp60 -94.41 -31.02 14.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.409 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -79.69 -26.2 41.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.749 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 19' ' ' LEU . 25.1 t -75.77 -26.44 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.147 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.77 -16.93 60.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.552 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -111.89 -34.15 6.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.603 0.239 . . . . 0.0 111.309 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.544 HD22 ' HB3' ' B' ' 27' ' ' ARG . 50.5 mt -55.18 -49.53 71.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.271 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.11 53.33 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.92 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -71.56 -32.75 68.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -65.55 -57.78 7.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.59 42.21 55.58 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 O-C-N 122.778 -0.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 0' ' ' ACE . . . . . 0.739 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.231 0.12 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.657 ' H ' ' HB3' ' B' ' 4' ' ' ALA . 0.5 OUTLIER -90.15 -166.84 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.318 . . . . 0.0 111.203 . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.452 HG23 ' H ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -43.28 -88.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.577 -179.842 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.473 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 0.4 OUTLIER -58.52 -34.04 70.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.667 0.27 . . . . 0.0 111.337 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.657 ' HB3' ' H ' ' B' ' 1' ' ' GLU . . . -56.71 -29.59 62.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.378 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.739 HD12 ' O ' ' B' ' 0' ' ' ACE . 10.0 mt -111.13 -44.52 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.711 0.767 . . . . 0.0 109.762 179.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.686 ' HB2' HD13 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -48.11 -35.05 10.73 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.368 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -90.04 -28.71 18.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.427 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.705 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -65.65 -27.44 68.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.722 0.296 . . . . 0.0 110.987 -179.84 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.691 HG11 ' HG2' ' A' ' 8' ' ' GLU . 54.7 t -59.05 -41.49 83.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.509 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 30.5 mt-30 -57.59 -22.31 44.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.025 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.97 2.03 40.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.815 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.616 HD11 HG13 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -114.6 -37.8 4.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.833 0.349 . . . . 0.0 110.84 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.41 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -90.1 -21.92 22.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.462 -179.498 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -59.72 -51.8 68.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -83.88 -33.94 24.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.984 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -63.22 -47.32 83.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -48.87 -30.3 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.141 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.76 -53.18 8.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.899 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.744 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.8 OUTLIER -63.73 -51.72 63.67 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.478 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.407 ' HG3' HD11 ' A' ' 19' ' ' LEU . 2.4 tttt -44.42 -29.61 0.72 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.201 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -85.58 -39.56 17.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.693 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.418 ' CG ' ' HA ' ' B' ' 19' ' ' LEU . 0.2 OUTLIER -90.45 -5.04 56.56 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.848 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.744 HG23 ' O ' ' B' ' 19' ' ' LEU . 21.5 t -47.66 -66.87 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.192 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.437 ' HB2' ' CE1' ' B' ' 28' ' ' HIS . 9.4 pt20 -62.6 -36.42 82.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.835 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.17 -27.45 63.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.415 HD22 ' HB3' ' A' ' 27' ' ' GLU . 20.5 mt -78.37 -55.47 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.935 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.544 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -65.64 -43.71 88.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.295 -179.739 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' B' ' 24' ' ' GLN . 27.4 m170 -59.76 -60.4 3.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.924 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -67.77 -45.94 73.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.12 65.02 1.36 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 O-C-N 122.736 -0.273 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -60.66 110.35 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.3 t -90.09 -56.99 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.278 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.98 -26.83 39.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.436 -179.744 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -81.97 1.59 34.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.534 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.568 HD11 HG13 ' B' ' 2' ' ' VAL . 88.7 mt -117.94 -40.66 2.97 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.77 0.319 . . . . 0.0 110.896 179.762 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.759 ' HA ' HD13 ' B' ' 5' ' ' LEU . 1.1 mt-10 -57.86 -74.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.573 179.701 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -23.92 44.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.783 179.706 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.683 ' HG2' HG11 ' B' ' 9' ' ' VAL . 5.4 tt0 -58.12 -28.62 64.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.875 0.369 . . . . 0.0 110.503 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.701 HG22 HG22 ' B' ' 9' ' ' VAL . 79.6 t -72.89 -57.56 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.448 179.592 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.77 -26.3 33.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.652 179.441 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -53.94 32.2 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.54 179.642 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.461 ' CB ' ' HB2' ' B' ' 12' ' ' LEU . 46.9 mt -73.43 -31.11 63.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.733 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -60.45 -25.71 66.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.827 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.86 -36.72 14.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.98 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.08 -54.64 5.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.767 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.422 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 38.8 t30 -51.81 -31.05 25.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.001 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -77.28 -41.82 39.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -56.91 -26.2 58.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.316 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.89 ' O ' HG23 ' A' ' 23' ' ' VAL . 53.4 mt -95.7 -47.2 6.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.979 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -48.81 -27.77 3.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.332 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -93.4 -29.35 15.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -83.03 -25.91 31.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.028 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 19' ' ' LEU . 21.4 t -77.03 -32.08 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.61 -34.18 72.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.003 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -80.18 -38.95 30.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.489 HD13 ' HB2' ' B' ' 26' ' ' LEU . 40.2 mt -60.17 -66.86 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.516 ' HB3' HD22 ' B' ' 26' ' ' LEU . 19.3 pt-20 -90.0 52.64 2.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -71.02 -34.06 70.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -31.87 65.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.01 -178.74 16.56 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 O-C-N 122.727 -0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.033 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.67 ' N ' ' HB3' ' B' ' 4' ' ' ALA . 11.8 pt-20 -90.01 -170.38 2.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 111.295 . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.681 HG12 ' HE3' ' B' ' 6' ' ' LYS . 45.5 t -38.26 -80.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.223 -0.337 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.925 -179.529 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.467 ' HG2' ' N ' ' B' ' 4' ' ' ALA . 0.8 OUTLIER -57.97 -33.63 69.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.599 -179.6 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.67 ' HB3' ' N ' ' B' ' 1' ' ' GLU . . . -63.49 -25.55 68.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.749 0.309 . . . . 0.0 111.428 -179.816 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.759 HD13 ' HA ' ' A' ' 6' ' ' GLU . 12.1 mt -110.87 -48.4 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.731 0.777 . . . . 0.0 109.643 179.254 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.681 ' HE3' HG12 ' B' ' 2' ' ' VAL . 9.4 ttpp -45.12 -41.85 8.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.442 -1.254 . . . . 0.0 110.997 179.142 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.423 ' HD3' ' O ' ' B' ' 3' ' ' GLN . 10.8 mtpt -71.7 -38.83 70.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.605 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -70.34 -26.89 63.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.314 -179.694 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 9' ' ' VAL . 89.4 t -67.6 -50.65 59.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.776 0.322 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.526 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 1.2 pt20 -50.34 -29.01 8.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.013 -179.881 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.53 -18.98 63.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.578 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.555 HD11 HG13 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -92.41 -41.43 10.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.884 0.373 . . . . 0.0 110.932 -179.912 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -85.5 -25.93 26.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.719 -179.424 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -54.09 -53.48 52.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.964 0.411 . . . . 0.0 110.958 179.796 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.637 ' HG3' HD21 ' B' ' 19' ' ' LEU . 2.9 tpt85 -80.41 -45.29 17.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.589 179.622 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.604 ' OD1' HD12 ' A' ' 19' ' ' LEU . 49.7 t-20 -53.59 -51.02 64.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.021 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -53.56 -29.02 35.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.669 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.33 -44.81 24.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.019 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.925 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.7 OUTLIER -63.76 -56.39 15.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 179.694 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.456 ' HG3' HD11 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -42.8 -28.67 0.26 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.663 179.733 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -86.72 -39.66 15.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.76 -179.568 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.557 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.1 OUTLIER -90.29 -20.8 22.52 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.047 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.925 HG23 ' O ' ' B' ' 19' ' ' LEU . 73.4 t -42.04 -43.31 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 120.764 0.316 . . . . 0.0 111.378 -179.419 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.411 ' HA ' ' HD3' ' B' ' 27' ' ' ARG . 28.7 pt20 -74.17 -34.17 63.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.696 179.662 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.43 -30.25 71.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.953 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.865 ' CD1' HG13 ' A' ' 23' ' ' VAL . 36.1 mt -72.38 -63.49 1.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.798 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.411 ' HD3' ' HA ' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -54.72 -23.71 18.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.449 -179.883 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -81.63 -53.91 5.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.784 0.325 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -174.27 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 170.68 -34.83 0.17 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 O-C-N 122.787 -0.243 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -90.38 26.06 2.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 111.518 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.8 t -44.54 -65.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.514 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.7 91.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.154 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -28.52 9.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.999 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.772 HD22 ' HA ' ' B' ' 6' ' ' LYS . 6.6 mt -95.04 -28.98 14.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.671 179.68 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.655 ' HG2' HD13 ' B' ' 5' ' ' LEU . 3.9 mt-10 -60.54 -37.97 82.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -87.85 -27.96 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.745 ' HG2' HG11 ' B' ' 9' ' ' VAL . 3.4 tt0 -59.36 -25.35 64.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.125 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.673 HG11 ' NH2' ' B' ' 8' ' ' ARG . 69.7 t -74.91 -59.06 3.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.835 0.35 . . . . 0.0 110.49 179.534 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.59 -26.28 21.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.685 179.397 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -65.53 -50.95 63.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.565 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 32.5 mt -78.51 -30.98 47.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.729 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.622 ' OE1' HG12 ' A' ' 9' ' ' VAL . 26.6 mt-10 -59.85 -27.03 66.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.731 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.92 -37.34 14.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -80.36 -54.82 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.681 179.777 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.406 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 0.9 OUTLIER -52.46 -31.76 36.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.992 179.717 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -73.79 -42.46 60.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -24.85 53.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.419 -179.622 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.871 ' O ' HG23 ' A' ' 23' ' ' VAL . 44.4 mt -97.79 -48.76 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.067 -179.751 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -49.21 -28.51 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.206 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.26 -30.37 20.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.1 -179.906 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -83.27 -37.52 23.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 19' ' ' LEU . 10.9 t -64.6 -39.59 86.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.071 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.63 -27.15 64.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.231 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -97.3 -40.37 8.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 35.7 mt -59.41 -68.75 0.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.499 ' HB3' HD22 ' B' ' 26' ' ' LEU . 1.1 pt-20 -86.46 57.78 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -70.94 -44.84 65.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -76.75 -67.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.32 121.9 5.93 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 O-C-N 122.671 -0.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 0' ' ' ACE . . . . . 0.692 ' H1 ' ' HB1' ' B' ' 4' ' ' ALA . . . . . . . . 0 C--O 1.23 0.06 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.63 ' N ' ' HB3' ' B' ' 4' ' ' ALA . 2.7 mt-10 -90.48 -158.58 0.55 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.744 0.307 . . . . 0.0 111.688 . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -34.75 -85.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -179.287 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.523 ' HA ' ' HE3' ' B' ' 7' ' ' LYS . 14.7 pt20 -49.16 -26.75 3.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.836 0.351 . . . . 0.0 111.423 -179.409 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.692 ' HB1' ' H1 ' ' B' ' 0' ' ' ACE . . . -72.87 -25.31 61.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.263 179.852 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.712 HD23 ' HD3' ' B' ' 8' ' ' ARG . 2.9 mt -111.42 -48.84 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.677 0.751 . . . . 0.0 109.536 179.589 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.772 ' HA ' HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -43.72 -32.09 0.94 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.255 179.185 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.523 ' HE3' ' HA ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -90.11 -31.32 17.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.334 -179.693 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.712 ' HD3' HD23 ' B' ' 5' ' ' LEU . 0.1 OUTLIER -73.3 -16.29 61.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.256 -179.715 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.745 HG11 ' HG2' ' A' ' 8' ' ' GLU . 98.7 t -74.64 -51.97 20.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.867 0.365 . . . . 0.0 110.474 179.313 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.531 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 0.2 OUTLIER -49.63 -29.77 7.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.093 -179.779 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.71 -20.55 65.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.516 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.585 HD11 HG13 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -91.05 -44.79 9.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.95 0.405 . . . . 0.0 110.812 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -80.71 -24.68 38.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.53 -179.55 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -54.06 -53.15 57.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.845 0.355 . . . . 0.0 110.953 179.853 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.471 ' HG3' HD21 ' B' ' 19' ' ' LEU . 16.9 tpp180 -82.79 -41.34 19.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.595 179.76 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.793 ' OD1' HD12 ' A' ' 19' ' ' LEU . 49.0 t30 -55.05 -49.2 72.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -51.55 -32.47 28.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.728 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.38 -44.67 35.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.05 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.856 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.8 OUTLIER -62.47 -56.8 14.66 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.698 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.73 -28.86 0.16 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.695 179.857 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -85.19 -41.23 15.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.692 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.655 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.28 -32.36 16.56 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.105 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.856 HG23 ' O ' ' B' ' 19' ' ' LEU . 86.0 t -38.93 -58.0 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 120.715 0.293 . . . . 0.0 111.722 -179.338 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.431 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 2.5 pt20 -61.65 -34.63 76.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.96 -43.14 93.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.093 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.655 HD11 ' HD3' ' B' ' 22' ' ' LYS . 56.7 mt -60.23 -60.83 3.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.431 ' CD ' ' HA ' ' B' ' 24' ' ' GLN . 2.2 ptt180 -54.78 -27.11 39.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -33.53 76.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.979 179.871 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.72 51.9 2.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.989 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -159.9 -107.28 0.23 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.491 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 O-C-N 122.728 -0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -88.84 111.42 22.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.64 -46.99 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.69 ' HB1' ' HE2' ' A' ' 7' ' ' LYS . . . -55.68 -23.28 27.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.348 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -87.23 7.65 27.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.356 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.897 ' CD1' HG13 ' B' ' 2' ' ' VAL . 18.2 mt -117.14 -39.11 3.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.768 0.318 . . . . 0.0 110.851 179.9 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -76.98 -60.74 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.651 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.69 ' HE2' ' HB1' ' A' ' 3' ' ' ALA . 16.5 mtmt -60.6 -29.85 69.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.777 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.685 ' HG2' HG11 ' B' ' 9' ' ' VAL . 3.9 tt0 -55.63 -27.27 48.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.783 ' CG2' HG22 ' B' ' 9' ' ' VAL . 75.7 t -71.31 -56.65 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.425 179.537 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.65 -27.31 62.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.043 0.449 . . . . 0.0 110.404 179.33 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -50.27 52.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.684 179.65 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.565 HD12 HG13 ' B' ' 9' ' ' VAL . 21.5 mt -78.69 -34.71 45.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.882 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -59.97 -27.53 66.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.889 0.376 . . . . 0.0 110.563 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.04 -36.11 15.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.818 179.541 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -82.38 -57.02 3.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.728 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 12' ' ' LEU . 45.0 t30 -50.97 -35.29 32.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 179.661 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.401 ' CE1' ' OE1' ' A' ' 21' ' ' GLN . 35.4 t80 -74.9 -43.91 51.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.047 -179.89 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -42.52 85.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 -179.765 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.768 ' O ' HG23 ' A' ' 23' ' ' VAL . 10.8 mt -75.21 -50.03 17.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.066 -179.776 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -46.54 -28.85 1.55 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.897 0.38 . . . . 0.0 111.256 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.401 ' OE1' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -83.88 -34.86 24.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.975 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -81.76 -39.36 24.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.761 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 19' ' ' LEU . 16.3 t -62.18 -36.96 77.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.03 -25.67 63.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.113 179.818 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -101.88 -30.02 11.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.607 HD22 ' HB3' ' B' ' 27' ' ' ARG . 19.6 mt -63.53 -47.14 82.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.502 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.4 OUTLIER -90.07 52.9 2.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.013 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -90.0 -51.1 5.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -90.18 17.98 6.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.504 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.47 170.84 31.54 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.391 0 O-C-N 122.714 -0.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 0' ' ' ACE . . . . . 0.667 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.611 ' N ' ' HB3' ' B' ' 4' ' ' ALA . 8.8 mt-10 -89.25 -163.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 111.183 . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.897 HG13 ' CD1' ' A' ' 5' ' ' LEU . 87.0 t -44.64 -87.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.213 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.733 -179.628 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -55.79 -26.82 48.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.65 0.262 . . . . 0.0 111.582 -179.518 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.611 ' HB3' ' N ' ' B' ' 1' ' ' GLU . . . -67.63 -28.91 68.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.783 0.325 . . . . 0.0 111.463 -179.678 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.667 HD12 ' O ' ' B' ' 0' ' ' ACE . 9.4 mt -110.96 -42.7 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.561 0.696 . . . . 0.0 109.831 179.491 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.605 ' HD3' HD22 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -47.05 -30.11 2.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.176 179.54 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.53 -23.91 31.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.354 -179.784 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.602 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -83.13 -26.13 31.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.227 -179.824 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.783 HG22 ' CG2' ' A' ' 9' ' ' VAL . 64.2 t -65.95 -37.27 79.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.621 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -57.75 -21.09 39.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.143 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.52 4.92 25.93 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.843 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.426 HD12 HD12 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -116.75 -50.91 2.59 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.87 0.366 . . . . 0.0 110.745 179.924 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -76.88 -19.97 56.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.423 -179.659 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -56.52 -56.68 18.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 111.158 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -80.88 -38.93 27.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.4 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 58.2 t-20 -55.54 -48.13 75.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.05 -179.92 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -51.12 -30.71 17.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.092 -179.826 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.02 -50.04 12.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.748 ' HB3' HG21 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -64.87 -52.65 55.45 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.589 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.56 -28.83 1.03 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.37 179.718 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -40.59 15.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.676 -179.513 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.454 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.4 -4.02 57.32 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.779 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.711 HG23 ' O ' ' B' ' 19' ' ' LEU . 21.7 t -45.09 -61.47 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 120.835 0.35 . . . . 0.0 111.261 -179.507 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.419 ' HA ' ' CG ' ' B' ' 27' ' ' ARG . 65.9 mt-30 -61.81 -44.81 96.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.78 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.33 -30.61 12.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.26 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.521 ' CD1' HG13 ' A' ' 23' ' ' VAL . 60.1 mt -78.77 -60.85 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.607 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -58.19 -54.82 42.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.305 -179.742 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -69.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.938 -179.911 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -63.41 159.91 17.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 146.89 45.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.428 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.37 0 O-C-N 122.766 -0.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.874 ' C ' ' H3 ' ' B' ' 0' ' ' ACE . 1.3 pt-20 -90.12 122.41 33.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 111.113 . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 1.041 HG22 HG13 ' B' ' 2' ' ' VAL . 38.0 t -43.23 -41.16 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.434 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 6' ' ' GLU . . . -47.17 -26.52 1.17 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.233 -179.58 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -60.49 -24.04 64.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.268 0.556 . . . . 0.0 109.772 178.63 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.932 HD11 ' O ' ' B' ' 1' ' ' GLU . 15.7 mt -78.42 -36.52 45.51 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.541 179.272 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' ' 3' ' ' ALA . 0.2 OUTLIER -47.0 -32.04 3.64 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.452 0.644 . . . . 0.0 110.15 179.797 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -77.18 -33.61 56.42 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.782 -179.899 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.621 ' HG2' HG21 ' B' ' 9' ' ' VAL . 2.4 tt0 -67.04 -22.51 65.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.882 178.187 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.755 HG12 ' CD ' ' A' ' 13' ' ' GLU . 94.7 t -81.62 -49.04 18.22 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.723 179.154 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.3 -24.4 43.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.998 178.733 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -56.23 -61.94 2.05 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.21 179.373 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.671 HD12 HD12 ' B' ' 12' ' ' LEU . 13.4 mt -70.77 -52.13 22.63 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 120.471 -0.492 . . . . 0.0 109.961 178.875 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.755 ' CD ' HG12 ' A' ' 9' ' ' VAL . 71.4 mt-10 -34.38 -35.56 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.335 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -64.58 -55.91 17.35 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.417 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' LEU . 2.7 pt-20 -79.04 -43.86 23.39 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.252 178.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.56 ' OD1' ' CB ' ' B' ' 16' ' ' ASN . 0.8 OUTLIER -50.66 -27.78 7.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.96 179.146 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -82.79 -22.69 34.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.696 179.604 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -77.59 0.18 24.07 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.483 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.808 ' O ' HG23 ' A' ' 23' ' ' VAL . 31.5 mt -124.69 -58.95 1.47 Allowed 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.0 109.997 179.536 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -28.4 32.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.084 179.534 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.15 -32.48 10.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.814 179.809 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -77.3 -27.64 53.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.641 179.704 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.015 HG13 HD13 ' B' ' 26' ' ' LEU . 45.8 t -62.55 -44.04 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.172 179.438 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.12 -24.3 25.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.441 179.903 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.487 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 8.2 pt20 -104.0 -32.14 9.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.195 -179.847 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.453 ' HA ' ' CG ' ' A' ' 29' ' ' GLU . 6.4 mt -55.17 -54.73 39.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.024 0.44 . . . . 0.0 111.475 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -41.97 68.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.64 -178.876 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.487 ' CD2' ' HA ' ' A' ' 25' ' ' GLN . 0.4 OUTLIER -90.02 -19.44 24.41 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.775 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.453 ' CG ' ' HA ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -90.0 50.72 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 111.121 -179.713 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.9 65.02 3.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.465 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.37 0 O-C-N 122.778 -0.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 0' ' ' ACE . . . . . 0.874 ' H3 ' ' C ' ' A' ' 1' ' ' GLU . . . . . . . . 0 C--O 1.229 -0.015 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.932 ' O ' HD11 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -91.61 -12.82 33.15 Favored 'General case' 0 CA--C 1.485 -1.531 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 . . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 1.132 ' O ' ' N ' ' B' ' 4' ' ' ALA . 0.1 OUTLIER -29.32 115.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.169 -179.274 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.567 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 5.1 mt-30 -29.18 9.37 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 125.037 1.461 . . . . 0.0 111.845 -179.483 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 1.132 ' N ' ' O ' ' B' ' 2' ' ' VAL . . . -53.66 -48.14 69.7 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 122.482 1.134 . . . . 0.0 108.128 177.6 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.641 ' O ' HG23 ' B' ' 9' ' ' VAL . 2.7 mt -127.14 -4.84 6.17 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 112.843 -1.98 . . . . 0.0 108.821 177.442 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.752 ' HB2' HD21 ' A' ' 5' ' ' LEU . 7.4 ttpp -84.38 -17.14 40.34 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.152 -179.765 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.465 ' HB3' ' HB3' ' B' ' 3' ' ' GLN . 15.8 ptmt -90.1 -17.42 27.75 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.965 177.667 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.586 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -90.17 -33.73 16.11 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.358 -179.013 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.641 HG23 ' O ' ' B' ' 5' ' ' LEU . 94.9 t -46.39 -46.67 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 120.691 0.281 . . . . 0.0 111.147 -179.523 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.607 ' O ' ' HB3' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -50.5 -31.9 16.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.074 0.464 . . . . 0.0 110.058 179.494 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' B' ' 8' ' ' ARG . . . -60.16 -19.91 56.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.31 179.539 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.676 HD11 HG13 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -95.88 -53.48 3.67 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.865 0.364 . . . . 0.0 110.371 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.51 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.35 -44.72 28.43 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -178.78 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' B' ' 10' ' ' GLN . . . -53.95 -38.06 64.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.683 0.277 . . . . 0.0 111.569 -179.319 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 12.8 tpp85 -90.11 -34.31 15.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.553 -179.747 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.808 ' OD1' HD12 ' A' ' 19' ' ' LEU . 40.9 t30 -74.22 -35.98 63.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.71 0.29 . . . . 0.0 111.352 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -48.29 -47.19 36.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.059 0.456 . . . . 0.0 110.583 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.38 -42.25 98.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.474 -179.65 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.74 ' HA ' ' HG2' ' B' ' 22' ' ' LYS . 1.0 OUTLIER -60.81 -47.65 85.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.965 0.412 . . . . 0.0 110.247 -179.869 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.442 ' HG3' HD11 ' A' ' 19' ' ' LEU . 17.2 tttt -45.42 -28.5 0.89 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.126 179.626 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.55 -34.22 23.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.486 -179.642 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.74 ' HG2' ' HA ' ' B' ' 19' ' ' LEU . 14.9 ptmt -90.05 -9.52 48.24 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.249 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.606 HG22 HD22 ' A' ' 19' ' ' LEU . 61.9 t -40.65 -55.05 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 120.68 0.276 . . . . 0.0 111.493 -179.162 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.432 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 7.8 mt-30 -69.34 -31.5 69.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.629 179.727 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.98 -21.93 65.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 1.015 HD13 HG13 ' A' ' 23' ' ' VAL . 30.8 mt -78.04 -60.05 2.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.432 ' CD ' ' HA ' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -49.7 -25.91 3.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.328 179.906 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -63.36 -30.48 71.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' B' ' 26' ' ' LEU . 0.6 OUTLIER -58.17 -173.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.928 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -110.84 -76.48 0.85 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.536 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 O-C-N 122.78 -0.247 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -90.45 24.76 2.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.723 0.297 . . . . 0.0 111.467 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 90.8 t -42.87 -57.62 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.563 179.824 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.58 -29.21 66.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -72.29 -9.78 58.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.493 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.722 HD13 ' HB2' ' B' ' 6' ' ' LYS . 9.6 mt -107.4 -32.51 7.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.772 0.32 . . . . 0.0 111.083 -179.821 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -73.76 -56.55 4.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.002 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -62.18 -29.21 70.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.525 ' HG2' HG11 ' B' ' 9' ' ' VAL . 57.5 tt0 -58.51 -25.45 62.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 179.842 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.489 HG21 HD22 ' B' ' 5' ' ' LEU . 87.3 t -74.72 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.77 179.796 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.28 -26.11 11.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.944 179.728 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -53.51 33.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.694 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.487 HD12 HG13 ' B' ' 9' ' ' VAL . 32.2 mt -77.52 -31.7 53.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.962 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.7 -25.1 64.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.99 -36.64 14.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.184 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -85.11 -53.67 5.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.437 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 40.4 t30 -49.39 -32.84 12.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.432 ' CE1' ' HG3' ' A' ' 21' ' ' GLN . 31.3 t80 -76.91 -36.68 56.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -59.51 -29.9 68.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.278 -179.705 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.772 ' O ' HG23 ' A' ' 23' ' ' VAL . 37.1 mt -92.3 -53.97 4.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.188 -179.81 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -47.66 -28.13 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.391 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.432 ' HG3' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -91.74 -25.22 19.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.195 -179.846 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -89.54 -34.98 16.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.799 0.333 . . . . 0.0 111.001 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 19' ' ' LEU . 21.9 t -64.49 -28.99 46.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.531 ' HB3' ' OE1' ' A' ' 25' ' ' GLN . . . -58.95 -28.03 65.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.531 ' OE1' ' HB3' ' A' ' 24' ' ' ALA . 2.8 mp0 -99.23 -30.18 12.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.019 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 23' ' ' VAL . 72.5 mt -56.64 -54.89 40.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.03 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.727 ' HB3' HD22 ' B' ' 26' ' ' LEU . 7.5 pt-20 -90.03 58.3 4.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -86.63 -48.1 8.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.59 -61.05 2.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.941 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.67 -55.09 2.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.449 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 O-C-N 122.694 -0.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 0' ' ' ACE . . . . . 0.658 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.458 ' N ' ' HB3' ' B' ' 4' ' ' ALA . 1.5 pm0 -78.42 -173.16 3.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.928 0.394 . . . . 0.0 111.314 . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.673 HG13 ' CD1' ' A' ' 5' ' ' LEU . 45.6 t -38.69 -81.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.223 -0.32 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.966 -179.564 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -57.28 -43.65 83.32 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.839 0.352 . . . . 0.0 111.444 -179.672 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.458 ' HB3' ' N ' ' B' ' 1' ' ' GLU . . . -53.6 -27.53 27.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.788 -179.353 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.658 HD12 ' O ' ' B' ' 0' ' ' ACE . 12.2 mt -110.35 -46.07 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 0.0 110.05 179.499 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.722 ' HB2' HD13 ' A' ' 5' ' ' LEU . 8.8 ttpt -47.66 -39.14 16.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.259 179.471 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -81.04 -42.41 21.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.369 -179.492 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.636 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -53.76 -25.87 20.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.367 -179.482 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.525 HG11 ' HG2' ' A' ' 8' ' ' GLU . 57.4 t -60.7 -42.98 94.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.568 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -55.83 -22.95 27.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.129 -179.861 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.97 1.31 31.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.848 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.433 HD12 HD12 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -112.25 -51.14 2.86 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.898 0.38 . . . . 0.0 110.819 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.439 ' HB3' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -76.92 -26.17 53.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.586 -179.496 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -52.55 -51.06 61.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.822 0.344 . . . . 0.0 111.131 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.402 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 0.3 OUTLIER -82.14 -47.74 12.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.65 179.686 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.453 ' OD1' HD12 ' A' ' 19' ' ' LEU . 27.4 t30 -51.22 -48.12 62.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -54.2 -34.12 59.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 110.642 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.62 -49.47 21.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.731 ' HB3' HG21 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -61.9 -54.88 35.9 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.496 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.27 -29.54 0.41 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.465 179.681 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -86.52 -40.56 15.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.677 -179.585 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.423 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -90.45 -3.17 57.85 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.904 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.712 HG23 ' O ' ' B' ' 19' ' ' LEU . 19.9 t -46.67 -65.06 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 111.209 -179.564 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -61.56 -41.15 96.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.74 -29.0 37.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.741 ' CD1' HG13 ' A' ' 23' ' ' VAL . 39.1 mt -77.49 -63.72 1.31 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.429 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -55.92 -26.77 49.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.19 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -65.23 -61.67 1.99 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.804 0.335 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.09 101.06 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.31 163.82 9.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 O-C-N 122.792 -0.24 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.058 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -76.93 105.06 7.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -77.36 -63.22 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.02 -29.45 60.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -61.49 -35.13 76.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.806 HD13 ' HB2' ' B' ' 6' ' ' LYS . 28.2 mt -77.44 -29.99 53.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -56.98 -50.09 73.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -69.51 -24.73 63.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.969 -179.886 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.727 ' OE1' HG21 ' B' ' 9' ' ' VAL . 35.3 tt0 -57.37 -28.54 63.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.596 179.477 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.625 HG13 HD11 ' B' ' 12' ' ' LEU . 98.6 t -77.64 -55.76 9.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.584 179.551 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.83 -28.03 46.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.758 179.604 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -59.71 -55.27 36.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.671 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.454 HD12 HG13 ' B' ' 9' ' ' VAL . 24.3 mt -75.66 -38.22 58.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 179.83 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -51.51 -26.09 7.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.172 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.48 -36.01 22.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.024 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.31 -55.62 3.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.801 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -49.69 -37.11 27.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.046 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -69.97 -44.23 69.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.35 -25.63 59.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.363 -179.798 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.902 HD12 ' OD1' ' B' ' 16' ' ' ASN . 63.6 mt -99.07 -47.96 5.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.028 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -51.09 -26.76 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.146 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.47 -28.62 20.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -85.88 -38.71 17.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.796 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 19' ' ' LEU . 16.4 t -62.19 -39.53 84.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.722 179.858 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.12 -31.49 68.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.713 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -82.36 -39.29 22.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.695 179.759 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.578 HD22 ' HB3' ' B' ' 27' ' ' ARG . 31.8 mt -56.43 -73.52 0.06 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.807 179.822 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.815 ' HB3' HD22 ' B' ' 26' ' ' LEU . 4.9 pt-20 -90.12 51.11 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.86 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -67.38 -34.72 77.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.3 pm0 -60.4 -31.0 69.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.88 30.66 3.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.483 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.394 0 O-C-N 122.767 -0.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 0' ' ' ACE . . . . . 0.761 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.23 0.066 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.64 ' H ' ' HB3' ' B' ' 4' ' ' ALA . 1.3 mt-10 -90.22 -167.51 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 0.0 111.287 . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.462 HG23 ' H ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -42.71 -87.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.482 -179.808 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.469 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 4.0 pt20 -56.65 -38.35 72.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.806 0.336 . . . . 0.0 111.231 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.64 ' HB3' ' H ' ' B' ' 1' ' ' GLU . . . -53.86 -30.14 44.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.593 -179.595 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.761 HD12 ' O ' ' B' ' 0' ' ' ACE . 8.0 mt -110.71 -42.8 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.643 0.735 . . . . 0.0 109.945 179.393 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.806 ' HB2' HD13 ' A' ' 5' ' ' LEU . 5.7 ttpp -51.56 -38.26 53.53 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.332 179.703 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.59 -26.06 35.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.364 -179.593 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.473 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -68.55 -24.72 64.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.774 0.321 . . . . 0.0 111.046 -179.921 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.727 HG21 ' OE1' ' A' ' 8' ' ' GLU . 48.1 t -60.01 -43.66 93.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.972 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 1.6 pp0? -53.09 -25.07 11.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 -179.904 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.81 -1.89 30.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.811 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.625 HD11 HG13 ' A' ' 9' ' ' VAL . 0.4 OUTLIER -113.12 -38.66 4.4 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.699 0.285 . . . . 0.0 111.055 -179.807 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.417 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -90.03 -25.18 20.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.728 -179.376 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -58.17 -55.84 29.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.851 0.358 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.578 ' HG3' HD21 ' B' ' 19' ' ' LEU . 4.5 tpp180 -76.75 -49.31 16.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.611 179.845 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.902 ' OD1' HD12 ' A' ' 19' ' ' LEU . 32.6 t30 -50.95 -42.84 60.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.183 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -54.47 -38.29 66.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.714 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.54 -44.92 56.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.961 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.767 ' HB3' HG21 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -61.9 -57.47 11.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.036 179.701 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.528 ' HG3' HD11 ' A' ' 19' ' ' LEU . 6.8 tttt -42.27 -30.92 0.34 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.703 179.826 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -87.87 -40.31 14.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.742 -179.417 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.499 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -90.47 -0.38 57.64 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -178.885 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.758 HG23 ' O ' ' B' ' 19' ' ' LEU . 35.7 t -48.86 -64.08 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.853 0.358 . . . . 0.0 111.001 -179.624 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.92 -34.88 78.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.749 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.84 -31.09 68.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.815 ' CD1' HG13 ' A' ' 23' ' ' VAL . 75.2 mt -72.26 -62.54 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.746 179.81 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.578 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -57.44 -27.15 62.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.812 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -66.25 0.54 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.921 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.01 173.34 6.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.54 -123.55 5.01 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.51 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 O-C-N 122.723 -0.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -78.89 100.98 7.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.317 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 37.1 t -90.04 -67.02 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.07 -29.73 22.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.328 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.12 -22.34 66.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.069 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.6 HD13 ' HB2' ' B' ' 6' ' ' LYS . 6.9 mt -99.26 -42.23 7.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.999 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.471 ' HG2' HD13 ' B' ' 5' ' ' LEU . 23.5 mt-10 -57.29 -45.37 84.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.135 -179.804 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -73.99 -31.06 62.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.043 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.586 ' HG2' HG11 ' B' ' 9' ' ' VAL . 39.1 tt0 -59.53 -24.24 63.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.074 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.661 ' CG2' HG22 ' B' ' 9' ' ' VAL . 79.1 t -78.51 -59.53 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.615 179.742 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.94 -25.65 12.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.956 0.407 . . . . 0.0 110.958 179.583 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -68.58 -41.05 80.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.818 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.47 HD12 HG13 ' B' ' 9' ' ' VAL . 16.0 mt -92.02 -38.21 12.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.244 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -54.47 -24.54 20.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.125 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.03 -36.97 14.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -84.67 -54.55 4.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.961 -179.907 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' LEU . 35.1 t30 -48.42 -33.07 8.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -81.41 -43.31 19.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.965 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -28.99 65.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.247 -179.671 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.861 ' O ' HG23 ' A' ' 23' ' ' VAL . 22.9 mt -89.3 -45.49 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.176 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.0 -28.26 2.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.308 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -91.17 -30.33 16.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -83.46 -22.88 32.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.083 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 19' ' ' LEU . 11.4 t -86.84 -30.7 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.113 -179.922 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.96 -29.48 68.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.334 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -89.81 -38.86 13.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.166 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.435 HD22 ' HB3' ' B' ' 27' ' ' ARG . 66.5 mt -57.42 -67.12 0.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.077 -179.849 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.659 ' HB3' HD22 ' B' ' 26' ' ' LEU . 2.5 pt-20 -88.03 58.12 4.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -79.96 -66.0 0.93 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -81.6 -31.2 32.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.12 -168.27 0.22 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.525 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 O-C-N 122.752 -0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 0' ' ' ACE . . . . . 0.63 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.23 0.048 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.694 ' N ' ' HB3' ' B' ' 4' ' ' ALA . 0.4 OUTLIER -85.65 -163.4 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.769 0.319 . . . . 0.0 111.004 . . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.481 HG23 ' H ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -42.73 -86.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.849 -179.545 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.481 ' H ' HG23 ' B' ' 2' ' ' VAL . 42.3 mt-30 -54.65 -26.98 36.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.712 0.292 . . . . 0.0 111.507 -179.577 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.694 ' HB3' ' N ' ' B' ' 1' ' ' GLU . . . -68.67 -28.11 66.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.464 -179.682 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.637 HD23 ' HG2' ' B' ' 8' ' ' ARG . 9.6 mt -110.78 -44.94 3.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.708 0.766 . . . . 0.0 109.799 179.455 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.6 ' HB2' HD13 ' A' ' 5' ' ' LEU . 1.9 ttpp -45.74 -32.52 2.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.442 -1.254 . . . . 0.0 111.491 179.524 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.19 -18.35 25.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.86 -179.242 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.637 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -81.19 -25.6 36.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.596 0.236 . . . . 0.0 111.479 -179.457 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.661 HG22 ' CG2' ' A' ' 9' ' ' VAL . 60.9 t -64.99 -39.41 85.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.829 0.347 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.545 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -59.22 -18.95 41.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.186 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.21 12.06 16.99 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -179.67 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.458 HD12 HD12 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -121.64 -51.12 2.06 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.006 0.431 . . . . 0.0 110.701 179.709 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -78.74 -22.35 46.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.49 -179.702 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -57.33 -53.38 58.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.327 . . . . 0.0 111.3 -179.85 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -86.78 -34.2 19.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.028 -179.883 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.57 ' OD1' HD12 ' A' ' 19' ' ' LEU . 29.0 t30 -62.46 -44.6 96.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 -179.814 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -54.77 -29.36 53.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.127 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.7 -50.52 15.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.048 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.738 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.9 OUTLIER -62.02 -55.82 25.3 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.625 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.494 ' HD2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -42.64 -29.58 0.3 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.618 179.831 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -85.59 -40.11 16.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.718 -179.396 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.459 ' CD ' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.37 -8.96 49.37 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -178.721 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 19' ' ' LEU . 13.4 t -43.63 -54.86 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 120.837 0.351 . . . . 0.0 111.372 -179.281 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -67.68 -34.71 77.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.79 -29.23 70.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.254 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.663 HD12 HG13 ' A' ' 23' ' ' VAL . 48.7 mt -76.78 -59.59 2.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.435 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -57.83 -37.3 73.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.998 -179.943 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -76.23 -72.45 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.64 137.08 40.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.57 -177.54 42.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.526 179.921 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 O-C-N 122.767 -0.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.757 HD12 ' HB2' ' B' ' 5' ' ' LEU . 2.9 mt . . . . . 0 CA--C 1.519 -0.227 0 CA-C-O 120.973 0.416 . . . . 0.0 109.92 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -50.96 -27.38 7.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.534 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.78 -24.79 14.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.51 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -68.4 -22.67 64.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.447 HG12 ' OE1' ' A' ' 13' ' ' GLU . 78.0 t -81.03 -54.61 9.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.259 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.76 -23.94 46.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.999 0.428 . . . . 0.0 110.495 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -67.87 -55.31 13.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.603 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.498 HD12 HD12 ' B' ' 12' ' ' LEU . 28.9 mt -76.47 -46.3 27.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.837 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.447 ' OE1' HG12 ' A' ' 9' ' ' VAL . 29.7 mt-10 -48.26 -28.16 2.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.849 0.357 . . . . 0.0 110.947 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.64 -32.86 28.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.669 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -88.04 -57.1 3.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.537 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 12' ' ' LEU . 18.7 t-20 -47.24 -34.7 6.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.895 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -80.18 -34.52 37.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -29.12 68.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.206 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.767 ' O ' HG23 ' A' ' 23' ' ' VAL . 45.8 mt -87.22 -52.0 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.219 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.29 -28.45 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.468 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -85.12 -29.43 24.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.185 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -89.05 -34.07 16.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.875 0.369 . . . . 0.0 111.026 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 19' ' ' LEU . 11.6 t -71.64 -29.78 35.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.026 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.66 -19.12 63.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.422 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -110.67 -37.1 5.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.345 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 26' ' ' LEU . 26.2 mt -55.91 -62.66 1.55 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.744 0.307 . . . . 0.0 111.211 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.581 ' HB3' HD22 ' B' ' 26' ' ' LEU . 5.3 pt-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.985 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 121.976 0.893 . . . . 0.0 112.4 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.482 ' HA ' ' HE3' ' B' ' 7' ' ' LYS . . . -91.17 -43.56 9.79 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 113.708 -1.587 . . . . 0.0 108.569 177.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.757 ' HB2' HD12 ' A' ' 5' ' ' LEU . 2.2 mt -118.76 -36.63 3.42 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 112.777 -2.01 . . . . 0.0 108.508 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.694 ' HB2' HD11 ' A' ' 5' ' ' LEU . 7.3 ttpp -55.45 -24.25 29.84 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.981 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.482 ' HE3' ' HA ' ' B' ' 4' ' ' ALA . 0.0 OUTLIER -85.8 -20.18 29.58 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.778 179.159 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.527 ' NE ' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -90.23 -32.64 16.49 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.485 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.477 ' N ' ' HG3' ' B' ' 8' ' ' ARG . 77.3 t -59.76 -35.13 58.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.771 0.32 . . . . 0.0 111.075 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.698 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 29.6 mt-30 -62.7 -15.17 51.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.324 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.07 -12.26 38.97 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.498 HD12 HD12 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -96.92 -51.05 4.4 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.757 0.313 . . . . 0.0 111.259 -179.693 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.488 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.4 -19.29 56.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.797 -178.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -58.47 -58.26 9.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.357 . . . . 0.0 111.31 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.73 -34.65 24.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.676 ' OD1' HD12 ' A' ' 19' ' ' LEU . 46.5 t30 -58.49 -43.25 88.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.252 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -57.92 -32.31 67.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.257 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.49 -53.49 11.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.288 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.961 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.8 OUTLIER -59.35 -54.25 48.91 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.224 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.76 -28.63 0.25 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.524 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -86.8 -39.55 15.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.84 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.618 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.1 OUTLIER -90.35 -20.01 23.35 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.851 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.961 HG23 ' O ' ' B' ' 19' ' ' LEU . 96.7 t -42.21 -62.41 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 120.74 0.305 . . . . 0.0 111.612 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -29.96 69.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.01 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.05 -32.56 73.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.176 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.618 HD11 ' HD3' ' B' ' 22' ' ' LYS . 75.4 mt -72.67 -55.67 6.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.029 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.621 HD22 ' CG ' ' B' ' 6' ' ' LYS . 6.0 mt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.867 0.365 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.599 ' HG2' HD13 ' B' ' 5' ' ' LEU . 13.8 mt-10 -67.75 -43.03 80.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.024 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -28.22 65.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.628 ' HG2' HG11 ' B' ' 9' ' ' VAL . 45.4 tt0 -59.47 -25.56 64.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.858 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.785 ' CG2' HG22 ' B' ' 9' ' ' VAL . 78.1 t -77.07 -61.29 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.467 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.45 -27.73 4.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.958 0.408 . . . . 0.0 110.797 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -66.66 -39.79 88.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.704 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.476 HD12 HG13 ' B' ' 9' ' ' VAL . 12.8 mt -92.85 -41.46 10.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -52.48 -24.98 8.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.237 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.2 -35.47 17.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.207 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -87.39 -54.78 4.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.051 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.437 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 48.1 t30 -50.35 -27.91 7.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.353 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -89.1 -48.09 7.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -59.29 -29.64 67.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.867 ' O ' HG23 ' A' ' 23' ' ' VAL . 64.4 mt -77.37 -52.93 8.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.939 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -47.44 -28.7 2.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.842 0.353 . . . . 0.0 111.34 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.08 -27.98 15.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.099 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -83.38 -31.98 26.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.985 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.877 HG13 ' CD1' ' B' ' 26' ' ' LEU . 38.5 t -64.43 -28.88 45.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.055 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.85 -25.38 63.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.233 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.36 -27.76 13.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.122 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' B' ' 27' ' ' ARG . 37.4 mt -57.52 -60.78 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 111.131 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.697 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.029 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.462 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 4.2 pm0 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.798 0.332 . . . . 0.0 111.283 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.11 -29.93 58.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.51 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.599 HD13 ' HG2' ' A' ' 6' ' ' GLU . 9.5 mt -111.1 -45.31 3.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.576 0.703 . . . . 0.0 109.854 179.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.621 ' CG ' HD22 ' A' ' 5' ' ' LEU . 10.6 ttpp -46.71 -33.8 4.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.598 -1.183 . . . . 0.0 111.28 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.415 ' HD3' ' O ' ' B' ' 3' ' ' GLN . 8.3 mtpt -84.62 -43.42 14.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.296 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.554 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -53.55 -24.44 13.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.595 -179.582 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.785 HG22 ' CG2' ' A' ' 9' ' ' VAL . 55.2 t -62.22 -40.66 88.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.187 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.56 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -58.66 -20.63 49.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.232 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.67 8.69 21.39 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.507 HD11 HG13 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -120.46 -50.09 2.23 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.885 0.374 . . . . 0.0 110.687 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.461 ' HB3' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.53 -20.54 54.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.507 -179.658 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -56.54 -51.69 67.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.37 . . . . 0.0 111.381 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.97 -34.04 16.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.077 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.437 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 31.0 t-20 -62.94 -40.47 97.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.02 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -52.72 -33.08 46.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.797 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.6 -46.53 31.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.873 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.7 OUTLIER -65.93 -53.71 35.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.158 179.751 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -44.88 -28.68 0.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.363 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -83.32 -42.04 17.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.516 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.426 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.15 -14.08 34.34 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.349 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.873 HG23 ' O ' ' B' ' 19' ' ' LEU . 43.5 t -48.01 -50.66 10.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.681 0.277 . . . . 0.0 111.06 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.407 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 7.4 mt-30 -70.63 -33.13 70.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.557 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.29 -29.6 70.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.791 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.877 ' CD1' HG13 ' A' ' 23' ' ' VAL . 83.8 mt -70.79 -62.07 1.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.768 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.633 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.24 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.755 HD22 ' HA ' ' B' ' 6' ' ' LYS . 51.4 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.862 0.363 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.45 -27.98 68.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.862 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.45 -32.35 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.484 ' HG2' HG11 ' B' ' 9' ' ' VAL . 64.6 tt0 -61.25 -22.92 65.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.011 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.428 HG13 HD11 ' B' ' 12' ' ' LEU . 94.1 t -80.22 -57.29 5.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.632 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.34 -25.38 23.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -50.72 61.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.659 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' B' ' 13' ' ' LYS . 41.5 mt -80.67 -32.36 36.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -59.89 -24.72 64.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.93 -38.55 13.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.144 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.55 -54.23 5.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.44 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 44.0 t30 -50.67 -30.7 14.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -86.13 -43.19 13.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -57.24 -42.39 81.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.873 HD12 ' OD1' ' B' ' 16' ' ' ASN . 66.4 mt -71.47 -48.34 49.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -51.88 -26.02 9.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.242 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -96.45 -24.85 15.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.198 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -89.94 -26.84 20.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.744 0.306 . . . . 0.0 111.149 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 19' ' ' LEU . 26.3 t -76.27 -29.18 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.122 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.85 -24.1 55.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.296 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -96.88 -37.5 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.142 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.429 HD22 ' HB3' ' B' ' 27' ' ' ARG . 77.7 mt -58.68 -64.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.03 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.467 ' HB3' HD13 ' B' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 121.065 0.46 . . . . 0.0 112.12 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.15 -17.18 1.46 Allowed 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.619 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 2.8 mt -102.83 -29.59 11.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.826 0.822 . . . . 0.0 109.817 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.755 ' HA ' HD22 ' A' ' 5' ' ' LEU . 1.3 tptm -70.75 -65.85 0.68 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.163 -1.38 . . . . 0.0 111.551 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -18.35 38.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.974 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.619 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -76.43 -27.1 56.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.674 0.273 . . . . 0.0 111.54 -179.531 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.484 HG11 ' HG2' ' A' ' 8' ' ' GLU . 76.6 t -60.63 -52.19 64.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.644 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 0.2 OUTLIER -52.47 -28.72 21.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.995 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.56 -19.78 62.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.513 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.451 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -90.48 -46.56 8.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.987 0.422 . . . . 0.0 110.864 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.474 ' HB3' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -80.19 -17.34 52.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.663 -179.587 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.644 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -57.37 -54.93 41.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.099 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.31 -36.4 29.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.873 ' OD1' HD12 ' A' ' 19' ' ' LEU . 28.0 t30 -62.74 -39.76 95.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -53.17 -36.56 61.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.378 . . . . 0.0 110.979 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.21 -45.88 62.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.858 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.9 OUTLIER -65.46 -56.08 14.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.075 179.617 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.29 -29.17 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.486 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -82.13 -41.17 20.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.645 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.62 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.18 -34.33 15.87 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.331 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.858 HG23 ' O ' ' B' ' 19' ' ' LEU . 72.8 t -34.37 -56.66 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.78 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -68.13 -42.67 79.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.557 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.12 -32.37 61.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.62 HD11 ' HD3' ' B' ' 22' ' ' LYS . 80.6 mt -72.87 -63.11 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.783 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.429 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.423 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.653 HD22 ' HA ' ' B' ' 6' ' ' LYS . 13.0 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.766 0.317 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.777 ' HG2' HD13 ' B' ' 5' ' ' LEU . 2.5 mt-10 -59.72 -30.34 68.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -90.65 -27.87 18.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.989 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.58 ' CG ' HG11 ' B' ' 9' ' ' VAL . 26.7 tt0 -59.88 -25.23 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.82 ' CG2' HG22 ' B' ' 9' ' ' VAL . 86.4 t -74.64 -60.67 2.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.614 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.23 -25.27 13.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.8 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -72.48 -43.07 64.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.838 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.538 HD12 HG13 ' B' ' 9' ' ' VAL . 20.1 mt -86.54 -45.49 11.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.121 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.493 ' OE1' HG12 ' A' ' 9' ' ' VAL . 6.0 mt-10 -50.28 -26.47 4.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.269 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.82 -35.09 19.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.7 -55.93 3.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 12' ' ' LEU . 36.3 t30 -48.35 -44.15 34.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.26 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -66.49 -38.42 87.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -70.72 -28.05 64.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.341 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.885 HD12 ' OD1' ' B' ' 16' ' ' ASN . 68.8 mt -90.99 -47.04 7.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.206 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.42 -25.67 10.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.105 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.14 -26.09 15.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.071 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -89.14 -21.08 23.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.099 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 19' ' ' LEU . 21.6 t -89.97 -30.58 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.72 -28.81 57.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.04 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -87.28 -39.94 14.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.757 HD12 ' HA ' ' A' ' 23' ' ' VAL . 15.2 mt -59.58 -62.39 1.91 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.569 ' HG2' HG12 ' A' ' 23' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 . . . . . 0 N--CA 1.463 0.183 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.67 -12.45 0.76 Allowed 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.882 ' O ' HG23 ' B' ' 9' ' ' VAL . 2.8 mt -110.42 -41.19 4.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.843 0.83 . . . . 0.0 109.603 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.653 ' HA ' HD22 ' A' ' 5' ' ' LEU . 9.8 ttpp -55.7 -46.03 77.75 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.921 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -79.71 -32.12 41.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.527 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.635 HH21 HG11 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -69.25 -29.82 67.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.347 -179.449 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.882 HG23 ' O ' ' B' ' 5' ' ' LEU . 94.6 t -66.81 -35.66 75.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.389 . . . . 0.0 110.533 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.503 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 36.7 mt-30 -59.15 -19.23 43.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.193 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.2 10.28 17.42 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.497 HD12 HD12 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -119.96 -47.09 2.41 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.958 0.409 . . . . 0.0 110.824 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.454 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -83.76 -28.76 27.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.55 -179.4 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -51.26 -49.19 61.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 111.366 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -88.48 -45.08 10.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.885 ' OD1' HD12 ' A' ' 19' ' ' LEU . 29.0 t30 -56.22 -38.02 70.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.228 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -53.7 -42.38 67.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.027 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.78 -47.72 65.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.973 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.76 ' O ' HG23 ' B' ' 23' ' ' VAL . 1.0 OUTLIER -62.49 -58.66 6.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.456 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.633 ' HG3' HD11 ' A' ' 19' ' ' LEU . 11.5 tttm -40.6 -31.7 0.17 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.667 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -84.0 -43.47 15.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.064 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.532 ' CD ' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.52 -3.63 57.47 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -178.479 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.76 HG23 ' O ' ' B' ' 19' ' ' LEU . 20.1 t -45.79 -63.74 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 117.984 0.356 . . . . 0.0 111.289 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -60.64 -34.57 74.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.69 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.55 -30.13 69.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.052 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.707 HD12 HG13 ' A' ' 23' ' ' VAL . 85.6 mt -79.47 -61.35 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.512 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.764 HD22 ' CD ' ' B' ' 6' ' ' LYS . 8.7 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.697 0.284 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -86.57 -57.47 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.144 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -56.7 -28.86 61.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.077 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.618 ' HG2' HG11 ' B' ' 9' ' ' VAL . 28.4 tt0 -62.18 -23.31 66.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.939 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.64 ' CG2' HG22 ' B' ' 9' ' ' VAL . 79.2 t -73.79 -60.6 2.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.731 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.03 -25.44 21.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.73 -51.33 57.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.73 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.5 HD12 HG13 ' B' ' 9' ' ' VAL . 24.0 mt -77.18 -36.37 55.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.715 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.466 ' OE1' HG12 ' A' ' 9' ' ' VAL . 13.6 mt-10 -55.24 -24.24 26.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.33 -37.51 18.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.045 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.404 ' HA ' ' HG2' ' A' ' 18' ' ' GLN . 3.4 tt0 -84.58 -54.62 4.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.749 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -54.29 -24.3 18.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -79.36 -53.64 6.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.293 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.404 ' HG2' ' HA ' ' A' ' 15' ' ' GLU . 8.8 pt20 -58.15 -33.29 69.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.282 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.859 ' O ' HG23 ' A' ' 23' ' ' VAL . 55.9 mt -75.33 -51.7 12.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.014 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -50.71 -26.55 5.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.36 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -94.61 -25.21 16.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.237 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -89.01 -29.79 19.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.811 0.338 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 19' ' ' LEU . 9.3 t -78.38 -30.37 15.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.04 -22.07 65.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.369 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -105.29 -36.08 7.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.183 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.647 HD22 ' HA ' ' B' ' 27' ' ' ARG . 14.5 mt -57.1 -46.9 82.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.089 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.073 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.498 ' O ' ' CG ' ' B' ' 7' ' ' LYS . 1.5 pm0 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.874 0.369 . . . . 0.0 111.411 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.92 -28.82 10.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.852 0.358 . . . . 0.0 111.077 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.723 ' O ' HG23 ' B' ' 9' ' ' VAL . 11.2 mt -115.23 -39.09 3.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.446 0.641 . . . . 0.0 110.403 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.764 ' CD ' HD22 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -57.35 -31.94 66.24 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.268 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' B' ' 3' ' ' GLN . 0.8 OUTLIER -90.11 -43.66 10.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.664 -179.601 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.674 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -50.74 -26.67 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.268 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.723 HG23 ' O ' ' B' ' 5' ' ' LEU . 73.5 t -62.22 -46.03 97.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.145 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.505 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -50.74 -30.22 13.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.236 -179.664 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.23 -13.13 61.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.612 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.449 HD12 HD12 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -99.3 -47.49 5.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.894 0.378 . . . . 0.0 110.927 -179.798 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.433 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.79 -23.57 42.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.713 -179.361 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -55.86 -61.77 2.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.857 0.361 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.45 -38.01 59.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.754 ' OD1' HD12 ' A' ' 19' ' ' LEU . 30.5 t30 -59.35 -42.06 90.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -53.09 -40.6 64.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.38 -45.33 76.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.071 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.857 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.7 OUTLIER -63.15 -56.55 15.8 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.639 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -40.67 -30.22 0.11 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.604 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -82.73 -40.62 20.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.612 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.729 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.44 -31.65 16.73 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.14 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.857 HG23 ' O ' ' B' ' 19' ' ' LEU . 88.6 t -40.35 -61.53 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-O 120.748 0.309 . . . . 0.0 111.627 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.41 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 2.4 pt20 -58.2 -28.99 65.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' B' ' 22' ' ' LYS . . . -72.68 -28.23 62.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.225 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.729 HD11 ' HD3' ' B' ' 22' ' ' LYS . 38.1 mt -78.54 -59.71 2.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.073 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.647 ' HA ' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.485 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.516 HD21 ' HD3' ' B' ' 6' ' ' LYS . 67.3 mt . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.807 0.337 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -60.83 -75.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.427 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -19.64 61.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.585 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -63.67 -27.69 69.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.684 179.394 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.524 HG12 ' N ' ' A' ' 10' ' ' ALA . 1.1 t -69.92 -54.88 16.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.708 0.289 . . . . 0.0 110.381 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.524 ' N ' HG12 ' A' ' 9' ' ' VAL . . . -56.32 -27.29 55.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.049 0.452 . . . . 0.0 110.12 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.415 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 3.6 tp60 -63.9 -73.39 0.12 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.113 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.012 HD11 HG13 ' B' ' 9' ' ' VAL . 0.9 OUTLIER -34.18 -69.21 0.1 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.475 179.303 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.771 ' HG3' HD13 ' B' ' 12' ' ' LEU . 51.2 mt-10 -39.37 -35.37 0.26 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.77 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.657 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . . . -69.59 -55.9 8.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.462 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.657 ' OE1' ' HB3' ' A' ' 14' ' ' ALA . 0.4 OUTLIER -79.1 -50.19 11.43 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.478 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.572 ' N ' ' O ' ' A' ' 12' ' ' LEU . 60.0 t30 -46.53 -29.01 1.59 Allowed 'General case' 0 CA--C 1.528 0.102 0 CA-C-O 120.793 0.33 . . . . 0.0 111.118 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -90.17 -29.14 18.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.894 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -74.51 -41.04 61.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.247 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.885 ' O ' HG23 ' A' ' 23' ' ' VAL . 76.3 mt -77.68 -53.32 7.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.157 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -48.19 -28.68 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 111.049 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.91 -30.41 31.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.791 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -88.72 -24.68 22.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.781 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.916 HG21 ' HB3' ' B' ' 19' ' ' LEU . 13.0 t -79.48 -31.61 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -33.04 71.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.84 -40.74 18.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.737 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.559 HD22 ' HB3' ' B' ' 27' ' ' ARG . 63.0 mt -58.58 -56.02 27.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.447 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.723 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.423 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 24.4 mt-30 . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.733 0.301 . . . . 0.0 111.488 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.18 -27.23 53.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.723 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.471 HD23 ' HE ' ' B' ' 8' ' ' ARG . 3.0 mt -110.8 -48.35 3.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.569 0.7 . . . . 0.0 109.563 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.516 ' HD3' HD21 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -43.7 -36.45 2.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.654 179.058 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -81.23 -37.64 28.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.473 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.471 ' HE ' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -67.82 -32.03 72.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.736 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 1.012 HG13 HD11 ' A' ' 12' ' ' LEU . 29.4 t -59.34 -37.23 68.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-O 121.105 0.479 . . . . 0.0 109.752 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.569 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 27.3 mm-40 -56.27 -58.67 6.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.495 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -41.13 -30.1 0.14 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 1.007 HD12 HD12 ' A' ' 12' ' ' LEU . 1.3 mt -95.19 -79.21 0.44 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.334 0.588 . . . . 0.0 109.528 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.817 ' HD3' HD22 ' A' ' 12' ' ' LEU . 13.4 tptt -55.23 -35.12 64.58 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -49.87 -32.02 13.46 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 119.059 -1.056 . . . . 0.0 109.939 -177.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.469 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 12.8 tpt85 -90.61 -28.88 18.14 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.193 178.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.776 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 18.6 t30 -73.26 -51.88 16.03 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.101 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -48.34 -28.58 3.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.187 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.59 -49.33 16.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.06 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.916 ' HB3' HG21 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -61.95 -55.35 30.37 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.594 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.554 ' CE ' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -42.43 -29.19 0.26 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.59 179.61 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -86.4 -40.25 15.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.562 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.418 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -90.59 -5.56 55.75 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.823 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 19' ' ' LEU . 7.6 t -46.08 -60.88 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-O 120.805 0.336 . . . . 0.0 111.289 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.416 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 6.2 mt-30 -64.15 -38.75 92.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.12 -29.43 60.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.672 HD12 HG13 ' A' ' 23' ' ' VAL . 57.7 mt -77.35 -64.0 1.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.559 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.273 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.692 HD13 ' HB2' ' B' ' 6' ' ' LYS . 46.6 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.797 0.332 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.517 ' HA ' HD13 ' B' ' 5' ' ' LEU . 3.8 mt-10 -57.11 -56.59 19.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -59.55 -28.75 67.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.108 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.668 ' HG2' HG11 ' B' ' 9' ' ' VAL . 22.5 tt0 -58.99 -25.61 63.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.983 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.773 HG13 HD11 ' B' ' 12' ' ' LEU . 58.8 t -81.19 -55.49 8.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.595 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.11 -25.68 23.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.553 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.46 -45.89 74.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.504 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.47 HD12 HD12 ' B' ' 12' ' ' LEU . 22.1 mt -84.17 -42.86 15.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.635 ' OE1' HG12 ' A' ' 9' ' ' VAL . 20.7 mt-10 -48.47 -28.37 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.065 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.26 -37.53 17.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -80.22 -56.86 3.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.703 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 12' ' ' LEU . 42.8 t-20 -50.54 -45.23 56.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.009 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -65.08 -41.57 94.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.784 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -28.04 56.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.258 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.85 ' O ' HG23 ' A' ' 23' ' ' VAL . 33.9 mt -98.39 -45.46 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -49.55 -27.92 4.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.185 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.0 -28.61 25.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.095 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.99 -30.82 19.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.853 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 19' ' ' LEU . 10.3 t -75.08 -35.09 33.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.36 -23.63 25.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.406 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -109.9 -37.86 5.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.181 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.727 HD22 ' HA ' ' B' ' 27' ' ' ARG . 18.2 mt -59.62 -45.85 90.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.103 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.626 ' HG2' HG12 ' A' ' 23' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 0.0 110.966 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.429 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 34.3 mt-30 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.909 0.385 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.02 -29.76 44.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.144 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.868 HD23 ' HD3' ' B' ' 8' ' ' ARG . 11.9 mt -113.46 -40.73 3.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.794 0.806 . . . . 0.0 109.875 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.692 ' HB2' HD13 ' A' ' 5' ' ' LEU . 8.5 ttpt -57.23 -35.55 69.82 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.413 -1.267 . . . . 0.0 111.33 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.432 ' HD2' ' HG2' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -90.05 -16.94 28.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.613 -179.459 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.868 ' HD3' HD23 ' B' ' 5' ' ' LEU . 0.6 OUTLIER -88.43 -17.76 29.76 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.539 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.75 HG23 ' O ' ' B' ' 5' ' ' LEU . 84.5 t -63.02 -48.44 87.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.804 0.335 . . . . 0.0 110.804 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 7.3 pt20 -49.52 -33.49 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.03 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.72 -15.22 61.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.608 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.773 HD11 HG13 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -98.48 -38.6 9.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.722 0.296 . . . . 0.0 111.139 -179.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.431 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -90.1 -36.35 14.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.886 -179.194 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -51.2 -41.44 60.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 111.102 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.12 -45.17 9.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.634 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.688 ' OD1' HD12 ' A' ' 19' ' ' LEU . 33.2 t30 -55.41 -45.73 76.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -52.03 -35.07 45.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.794 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.14 -42.55 55.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.084 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.918 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.9 OUTLIER -64.18 -57.71 8.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.73 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -40.9 -30.21 0.12 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.681 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.0 -41.3 18.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.6 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.765 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.32 -20.71 22.58 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.194 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.918 HG23 ' O ' ' B' ' 19' ' ' LEU . 96.1 t -45.94 -58.12 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.83 0.348 . . . . 0.0 111.331 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -30.04 67.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.35 -32.56 70.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.765 HD11 ' HD3' ' B' ' 22' ' ' LYS . 22.0 mt -72.97 -60.52 2.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.985 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.727 ' HA ' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.253 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.715 HD22 ' HD3' ' B' ' 6' ' ' LYS . 86.0 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.718 0.294 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -47.86 -29.56 3.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -82.11 -32.7 30.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.589 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.827 ' HG2' HG21 ' B' ' 9' ' ' VAL . 4.1 tt0 -53.8 -28.67 36.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.038 0.447 . . . . 0.0 110.302 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.762 HG13 HD11 ' B' ' 12' ' ' LEU . 85.1 t -83.16 -46.51 18.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.792 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.56 -31.84 71.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.146 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -63.58 1.09 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.722 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.564 HD12 HG13 ' B' ' 9' ' ' VAL . 70.9 mt -64.9 -42.27 94.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.879 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -44.02 -29.17 0.55 Allowed 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.914 0.388 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.21 -51.31 18.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.634 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.479 ' CG ' ' HA ' ' A' ' 12' ' ' LEU . 3.4 pt-20 -74.47 -47.21 34.78 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.777 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.446 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 54.6 t-20 -57.41 -20.89 32.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.766 0.317 . . . . 0.0 110.578 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -90.16 -48.56 7.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.99 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 12.8 pt20 -50.62 -26.81 5.8 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.541 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.905 ' O ' HG23 ' A' ' 23' ' ' VAL . 68.3 mt -85.08 -62.73 1.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.959 0.409 . . . . 0.0 110.104 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -30.36 1.83 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.473 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.78 -34.78 30.16 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.029 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.718 ' CD ' HD11 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -83.57 -24.48 31.53 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.057 0.456 . . . . 0.0 110.168 179.305 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 19' ' ' LEU . 57.8 t -63.85 -26.39 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.223 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.25 -21.95 61.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.366 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -108.02 -25.53 11.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.269 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.854 HD12 ' HA ' ' A' ' 23' ' ' VAL . 8.2 mt -52.86 -71.85 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.156 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.056 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.289 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.82 -14.8 0.07 Allowed 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -178.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.563 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 2.8 mt -108.93 -28.11 9.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.801 0.81 . . . . 0.0 110.068 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.715 ' HD3' HD22 ' A' ' 5' ' ' LEU . 8.5 tptt -77.69 -41.93 36.34 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.292 -1.322 . . . . 0.0 111.15 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.26 -6.4 58.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.495 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.563 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -90.16 -25.51 20.63 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.675 0.274 . . . . 0.0 111.313 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.827 HG21 ' HG2' ' A' ' 8' ' ' GLU . 45.6 t -49.31 -36.53 9.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 CA-C-O 120.764 0.316 . . . . 0.0 110.772 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.447 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -56.28 -24.38 42.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.607 179.638 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.27 -28.71 64.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.417 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.762 HD11 HG13 ' A' ' 9' ' ' VAL . 0.8 OUTLIER -82.16 -33.61 29.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.671 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.521 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -90.38 -38.36 13.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.854 -179.588 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -59.44 -35.11 73.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.062 0.458 . . . . 0.0 110.496 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.54 -35.97 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.248 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.8 ' OD1' HD12 ' A' ' 19' ' ' LEU . 22.0 t30 -69.48 -52.93 21.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.525 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -47.38 -42.82 22.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.579 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.74 -45.3 92.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.443 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.83 ' O ' HG23 ' B' ' 23' ' ' VAL . 1.1 mt -56.98 -49.2 76.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 0.0 110.406 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -43.03 -29.92 0.39 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.075 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -81.97 -51.58 7.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.588 ' HG2' ' HA ' ' B' ' 19' ' ' LEU . 15.7 ptmt -70.11 -39.05 75.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.053 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.83 HG23 ' O ' ' B' ' 19' ' ' LEU . 43.1 t -30.28 -57.46 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.192 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.641 ' HA ' ' HD3' ' B' ' 27' ' ' ARG . 3.7 pt20 -59.21 -46.92 87.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.078 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.64 -31.38 66.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.809 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.872 ' CD1' HG13 ' A' ' 23' ' ' VAL . 3.1 mt -64.51 -48.05 76.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.719 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.641 ' HD3' ' HA ' ' B' ' 24' ' ' GLN . 2.1 ptt-85 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.083 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.738 HD23 ' OE1' ' A' ' 8' ' ' GLU . 22.5 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.886 0.374 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.526 ' OE2' HD11 ' B' ' 5' ' ' LEU . 6.0 mm-40 -58.2 -39.31 78.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.47 -27.01 24.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.642 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.738 ' OE1' HD23 ' A' ' 5' ' ' LEU . 58.1 tt0 -56.28 -27.75 56.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.995 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.769 ' CG2' HG22 ' B' ' 9' ' ' VAL . 40.5 t -74.63 -57.27 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.536 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.7 -25.46 64.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.752 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -66.98 -57.27 7.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.505 HD12 HD12 ' B' ' 12' ' ' LEU . 71.3 mt -62.17 -35.72 79.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.593 ' OE2' HG12 ' A' ' 9' ' ' VAL . 32.7 mt-10 -56.74 -24.66 51.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.809 0.338 . . . . 0.0 110.785 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.03 -37.37 14.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.716 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.04 -56.85 3.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.586 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' LEU . 48.9 t-20 -50.58 -28.22 8.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.991 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -88.25 -21.88 24.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -85.62 9.57 15.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.762 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.901 ' O ' HG23 ' A' ' 23' ' ' VAL . 63.7 mt -127.15 -50.69 1.43 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.856 0.36 . . . . 0.0 110.411 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -48.95 -27.9 3.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.04 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.37 -28.46 18.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.779 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.11 -26.12 31.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.746 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 19' ' ' LEU . 32.6 t -70.64 -30.55 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.213 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.37 -24.61 30.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.719 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -111.08 -39.21 4.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.238 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.46 HD22 ' HB3' ' B' ' 27' ' ' ARG . 78.4 mt -57.36 -33.45 67.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.173 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.887 ' HA ' HD22 ' B' ' 26' ' ' LEU . 5.1 pt-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.24 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 121.053 0.454 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.08 -17.9 0.16 Allowed 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.699 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 2.9 mt -107.38 -41.68 5.02 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.795 0.807 . . . . 0.0 109.894 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -50.89 -53.42 32.71 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.403 -1.271 . . . . 0.0 111.267 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -26.14 62.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.652 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.699 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -71.72 -29.26 64.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.813 0.339 . . . . 0.0 110.923 -179.789 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.769 HG22 ' CG2' ' A' ' 9' ' ' VAL . 88.8 t -67.82 -32.43 56.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.572 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 84.6 mt-30 -59.3 -34.18 71.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.676 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.0 -15.7 59.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.782 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.505 HD12 HD12 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -99.11 -42.55 7.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.851 0.358 . . . . 0.0 110.965 -179.746 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.439 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -85.51 -25.15 27.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.892 -179.227 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -53.38 -48.48 68.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.874 0.368 . . . . 0.0 110.908 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 11.7 tpp180 -83.87 -43.64 15.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.474 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.587 ' OD1' HD12 ' A' ' 19' ' ' LEU . 45.9 t30 -56.55 -52.19 65.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.093 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -52.35 -36.69 54.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.68 -50.7 56.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.704 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.859 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.6 OUTLIER -65.12 -52.91 52.58 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.537 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -39.9 -30.63 0.09 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.916 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -44.97 20.52 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.085 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.629 ' CG ' ' HA ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -81.93 -27.64 33.22 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.224 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.859 HG23 ' O ' ' B' ' 19' ' ' LEU . 93.7 t -47.13 -59.7 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.291 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -56.64 -37.55 70.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.66 -41.26 90.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.8 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.887 HD22 ' HA ' ' A' ' 27' ' ' GLU . 93.8 mt -60.33 -64.24 1.02 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.747 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.46 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.248 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.644 HD13 ' HB2' ' B' ' 6' ' ' LYS . 93.2 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.814 0.34 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -57.45 -49.05 77.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -26.87 42.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.004 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.537 ' HG2' HG11 ' B' ' 9' ' ' VAL . 34.6 tt0 -55.66 -28.57 56.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.899 0.38 . . . . 0.0 110.641 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.798 ' CG2' HG22 ' B' ' 9' ' ' VAL . 65.0 t -75.13 -58.47 4.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.521 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.46 -29.71 50.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -61.73 -53.91 49.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.843 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.458 HD13 ' HB3' ' B' ' 13' ' ' LYS . 47.1 mt -71.02 -29.44 65.37 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.974 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -62.61 -27.64 69.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.667 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.23 -30.86 18.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.82 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.1 -56.92 3.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.694 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' LEU . 45.1 t-20 -50.72 -28.13 8.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -89.29 -35.45 16.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.68 -24.36 65.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.526 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.864 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.7 mt -91.47 -46.98 7.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.654 0.264 . . . . 0.0 111.091 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.407 ' HG3' ' NH2' ' B' ' 15' ' ' ARG . 0.9 OUTLIER -46.24 -42.12 13.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.865 0.364 . . . . 0.0 111.275 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.76 -25.82 62.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -89.79 -28.26 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.921 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 19' ' ' LEU . 9.0 t -78.76 -31.62 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.48 -28.36 63.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.279 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -99.07 -37.77 9.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.0 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.615 HD22 ' HB3' ' B' ' 27' ' ' ARG . 20.1 mt -61.25 -41.67 97.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.954 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.572 ' HA ' HD22 ' B' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.286 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.776 0.322 . . . . 0.0 111.375 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.05 -21.48 66.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.939 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.498 HD23 ' HG2' ' B' ' 8' ' ' ARG . 9.3 mt -111.75 -48.93 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.707 0.765 . . . . 0.0 109.786 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.644 ' HB2' HD13 ' A' ' 5' ' ' LEU . 1.8 tppp? -42.7 -36.97 1.58 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.53 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.68 -31.32 36.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.241 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.498 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -71.35 -26.01 62.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.337 . . . . 0.0 111.052 -179.835 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.798 HG22 ' CG2' ' A' ' 9' ' ' VAL . 70.0 t -68.02 -40.79 83.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.73 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.556 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 48.8 mt-30 -55.74 -31.83 62.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.57 -17.47 64.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.637 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.672 HD11 HG13 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -95.17 -46.8 6.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.869 0.366 . . . . 0.0 110.864 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.458 ' HB3' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.74 -18.47 51.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.627 -179.613 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -57.41 -53.75 54.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.895 0.379 . . . . 0.0 111.029 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.689 ' HD3' HD11 ' B' ' 19' ' ' LEU . 0.0 OUTLIER -84.28 -33.13 24.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.452 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 62.1 t-20 -61.77 -50.5 72.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 110.743 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -50.16 -31.84 14.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.009 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.43 -54.17 11.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.71 ' HB3' HG21 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -66.21 -52.66 45.78 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.501 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.19 -30.17 1.12 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.15 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -81.81 -43.85 17.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.72 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.436 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.33 0.55 57.2 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.574 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.691 HG23 ' O ' ' B' ' 19' ' ' LEU . 35.5 t -49.06 -61.75 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.937 0.398 . . . . 0.0 110.872 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -62.11 -33.36 74.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.837 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.14 -29.69 70.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.759 ' CD1' HG13 ' A' ' 23' ' ' VAL . 94.8 mt -74.66 -50.1 18.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.615 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.814 HD22 ' HD3' ' B' ' 6' ' ' LYS . 6.0 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.879 0.371 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.571 ' HG2' HD13 ' B' ' 5' ' ' LEU . 7.6 mt-10 -63.15 -41.27 99.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.767 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -72.55 -31.49 65.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.673 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.529 ' HG2' HG11 ' B' ' 9' ' ' VAL . 28.8 tt0 -58.22 -24.8 60.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.941 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.466 HG22 HG22 ' B' ' 9' ' ' VAL . 87.6 t -75.08 -59.78 2.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.708 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -24.32 30.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -67.9 -56.55 8.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.852 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.497 HD12 HG13 ' B' ' 9' ' ' VAL . 47.5 mt -70.46 -30.87 67.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.961 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -59.47 -27.17 65.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.721 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.14 -37.1 14.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -80.76 -55.16 5.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.429 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 39.9 t30 -50.33 -33.99 22.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.045 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -78.1 -41.81 34.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -56.48 -34.89 67.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.31 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.912 HD12 ' OD1' ' B' ' 16' ' ' ASN . 97.4 mt -84.96 -42.56 14.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.943 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -51.84 -26.53 10.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.107 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -94.65 -26.5 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.024 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -86.52 -25.48 25.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.989 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 19' ' ' LEU . 11.1 t -85.99 -35.3 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.33 -31.29 67.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.993 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -78.68 -39.83 35.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.441 HD13 ' HB2' ' B' ' 26' ' ' LEU . 31.5 mt -65.98 -69.14 0.32 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.485 ' HB3' HD13 ' B' ' 26' ' ' LEU . 1.4 pt-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.442 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.835 0.35 . . . . 0.0 111.252 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.03 -28.37 16.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.563 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.571 HD13 ' HG2' ' A' ' 6' ' ' GLU . 10.1 mt -112.23 -49.05 2.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 109.43 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.814 ' HD3' HD22 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -45.05 -34.38 2.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.803 179.062 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -76.1 -46.22 29.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.464 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -55.46 -24.06 28.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.296 -179.844 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.529 HG11 ' HG2' ' A' ' 8' ' ' GLU . 57.7 t -62.35 -45.52 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.17 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.624 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 1.4 pp0? -52.37 -26.98 13.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.277 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.15 -11.62 60.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.758 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.471 HD12 HD12 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -99.59 -49.09 4.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.38 . . . . 0.0 110.987 -179.798 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.444 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -78.53 -19.13 53.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.719 -179.336 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.624 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -55.15 -54.94 36.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 111.152 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 tpt85 -82.19 -39.39 23.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.912 ' OD1' HD12 ' A' ' 19' ' ' LEU . 38.8 t30 -56.71 -48.88 76.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -54.84 -31.57 59.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.968 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.04 -54.84 8.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.993 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.952 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.8 OUTLIER -59.28 -53.67 55.57 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.531 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.655 ' HG3' HD11 ' A' ' 19' ' ' LEU . 3.1 ttmt -41.97 -30.38 0.27 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.468 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -85.23 -40.04 17.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.989 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.517 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.3 -18.3 25.84 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.767 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.952 HG23 ' O ' ' B' ' 19' ' ' LEU . 92.7 t -43.64 -58.99 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 120.785 0.326 . . . . 0.0 111.425 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.12 -28.72 69.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.917 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.41 -36.14 73.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.589 HD12 HG13 ' A' ' 23' ' ' VAL . 83.2 mt -67.01 -60.56 2.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.779 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.241 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.803 HD13 ' HB2' ' B' ' 6' ' ' LYS . 31.9 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.808 0.337 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.517 ' HG2' HD13 ' B' ' 5' ' ' LEU . 26.5 mt-10 -78.25 -35.16 48.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.771 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -29.43 47.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.801 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.588 ' HG2' HG11 ' B' ' 9' ' ' VAL . 52.5 tt0 -58.49 -25.78 62.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.825 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.713 HG22 HG22 ' B' ' 9' ' ' VAL . 74.0 t -73.55 -60.75 2.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.579 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.37 -26.21 11.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -68.92 -47.59 65.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.742 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.549 HD12 HG13 ' B' ' 9' ' ' VAL . 19.2 mt -83.23 -32.74 26.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -59.99 -24.45 64.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.958 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.03 -35.61 15.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.041 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HG3' HD11 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -86.17 -55.34 3.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.416 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 48.4 t30 -50.42 -29.26 9.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -86.81 -44.6 11.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -63.7 -19.81 65.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.413 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.912 ' O ' HG23 ' A' ' 23' ' ' VAL . 35.3 mt -93.65 -55.48 3.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.798 0.332 . . . . 0.0 111.088 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -46.48 -28.88 1.52 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.402 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.53 -29.78 19.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.96 -35.84 25.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 19' ' ' LEU . 9.5 t -59.74 -30.18 44.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.012 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.44 -30.5 71.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -87.36 -34.64 18.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.791 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.652 HD22 ' HB3' ' B' ' 27' ' ' ARG . 96.3 mt -58.18 -66.32 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.443 ' HB3' HD13 ' B' ' 26' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.783 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.513 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 2.9 tt0 . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 121.047 0.451 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.79 -35.64 66.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.894 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.584 ' O ' HG23 ' B' ' 9' ' ' VAL . 4.6 mt -111.52 -8.91 14.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.296 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.803 ' HB2' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -81.57 -34.24 31.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.82 -179.246 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -89.23 -19.22 25.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.29 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.559 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -74.73 -26.49 59.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.707 0.289 . . . . 0.0 111.089 -179.823 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.713 HG22 HG22 ' A' ' 9' ' ' VAL . 57.3 t -63.18 -45.85 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.229 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.662 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 2.6 pt20 -52.4 -25.53 10.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.148 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.92 -12.39 60.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.7 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.407 HD11 HG13 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -98.59 -49.56 4.58 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.875 0.369 . . . . 0.0 111.127 -179.806 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.413 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.11 -19.49 56.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.642 -179.42 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -55.61 -56.74 16.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.867 0.365 . . . . 0.0 111.182 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -82.06 -41.4 20.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.051 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.425 ' OD1' HD12 ' A' ' 19' ' ' LEU . 34.5 t-20 -54.22 -42.93 70.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -53.67 -36.5 62.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.932 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.43 -46.89 45.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.895 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.7 OUTLIER -65.86 -55.3 17.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.578 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -43.03 -29.92 0.38 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.407 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -81.75 -42.02 20.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.569 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -19.37 24.21 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.895 HG23 ' O ' ' B' ' 19' ' ' LEU . 62.1 t -45.39 -60.62 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.748 0.308 . . . . 0.0 111.3 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.438 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 9.0 mt-30 -63.17 -34.48 77.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.652 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.79 97.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.477 HD12 HG13 ' A' ' 23' ' ' VAL . 46.4 mt -61.44 -62.98 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.652 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.445 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.441 HD22 ' HD3' ' B' ' 6' ' ' LYS . 39.7 mt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.779 0.324 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.426 ' HG2' HD13 ' B' ' 5' ' ' LEU . 3.2 mt-10 -65.27 -51.57 59.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.805 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -59.53 -27.99 66.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.765 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.663 ' HG2' HG11 ' B' ' 9' ' ' VAL . 51.5 tt0 -58.06 -26.47 62.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.695 HG13 HD11 ' B' ' 12' ' ' LEU . 99.2 t -77.27 -59.07 3.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.697 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.5 -25.5 16.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.964 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.28 -48.6 77.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.665 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.445 HD13 ' N ' ' B' ' 13' ' ' LYS . 17.2 mt -83.5 -41.09 18.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.811 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -46.38 -27.56 1.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.177 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.92 -49.3 12.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.393 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.429 ' CG ' ' HA ' ' A' ' 12' ' ' LEU . 2.8 pt-20 -78.43 -46.24 20.29 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.55 -179.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.427 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 41.6 t30 -55.27 -31.77 61.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.851 0.357 . . . . 0.0 110.971 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -89.27 -36.65 15.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.696 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -64.14 -40.75 96.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.897 ' O ' HG23 ' A' ' 23' ' ' VAL . 37.5 mt -72.31 -45.66 59.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -47.36 -29.03 2.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.86 0.362 . . . . 0.0 111.199 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -95.73 -29.03 14.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -80.03 -25.79 40.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 19' ' ' LEU . 20.1 t -77.2 -30.54 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.72 -30.92 69.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.022 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -90.38 -30.54 17.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.454 HD22 ' CB ' ' B' ' 27' ' ' ARG . 25.0 mt -66.36 -46.54 76.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.563 ' HB3' HD22 ' B' ' 26' ' ' LEU . 1.3 pp20? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.161 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.445 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.035 0 CA-C-O 120.776 0.322 . . . . 0.0 111.342 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.41 -29.56 16.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.756 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.496 HD23 ' HG2' ' B' ' 8' ' ' ARG . 8.1 mt -112.09 -44.32 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.675 0.75 . . . . 0.0 109.923 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.445 ' HB3' ' HA ' ' B' ' 3' ' ' GLN . 13.0 ttpp -49.9 -29.4 8.18 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.296 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -89.91 -21.71 22.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.598 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.496 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -74.82 -24.43 58.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.761 0.315 . . . . 0.0 111.112 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.663 HG11 ' HG2' ' A' ' 8' ' ' GLU . 60.9 t -57.49 -49.0 81.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.218 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.57 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 3.7 pt20 -50.73 -27.34 6.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.233 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.44 -14.24 62.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.725 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.695 HD11 HG13 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -99.19 -45.96 5.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.839 0.352 . . . . 0.0 111.027 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.445 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.94 -17.24 53.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.72 -179.413 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -61.8 -59.35 5.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 111.05 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.22 -29.33 34.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.439 ' OD1' HD12 ' A' ' 19' ' ' LEU . 24.3 t30 -65.61 -46.99 77.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.949 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -54.57 -32.53 58.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.59 -45.39 75.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.883 ' O ' HG23 ' B' ' 23' ' ' VAL . 1.0 OUTLIER -65.57 -50.81 63.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.85 0.357 . . . . 0.0 110.097 179.573 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.79 -29.65 0.82 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.381 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -79.19 -41.68 27.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.672 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.601 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.25 -24.54 20.91 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -179.336 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.883 HG23 ' O ' ' B' ' 19' ' ' LEU . 54.1 t -42.74 -61.08 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.734 0.302 . . . . 0.0 111.434 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.552 ' HA ' ' HD3' ' B' ' 27' ' ' ARG . 8.1 pt20 -64.94 -15.46 62.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.276 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' B' ' 22' ' ' LYS . . . -82.93 -25.26 32.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.922 0.392 . . . . 0.0 110.59 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.739 ' CD1' HG13 ' A' ' 23' ' ' VAL . 56.4 mt -79.08 -52.05 8.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.291 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.552 ' HD3' ' HA ' ' B' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.31 -179.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.472 HD13 ' HB2' ' B' ' 6' ' ' LYS . 53.6 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -58.54 -55.99 27.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -25.25 66.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.091 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.49 ' HG2' HG11 ' B' ' 9' ' ' VAL . 61.7 tt0 -56.77 -28.64 61.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.815 0.34 . . . . 0.0 110.715 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.713 HG13 HD11 ' B' ' 12' ' ' LEU . 72.3 t -79.75 -55.84 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.406 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.77 -27.82 31.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.51 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -63.34 -49.27 74.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.61 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.478 HD12 HG13 ' B' ' 9' ' ' VAL . 18.8 mt -82.9 -34.72 26.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -56.67 -25.08 52.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.959 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.1 -38.26 13.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.007 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.67 -55.08 4.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' LEU . 53.9 t30 -52.89 -29.67 29.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.235 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -80.95 -43.88 19.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -60.83 -27.58 68.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.174 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.902 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.3 mt -88.94 -54.83 3.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.121 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.5 -28.09 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.494 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.72 -27.78 19.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.186 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -86.51 -33.05 20.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.082 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 19' ' ' LEU . 9.0 t -66.83 -29.89 47.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.18 -16.21 61.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.55 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -112.54 -29.1 7.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.661 0.267 . . . . 0.0 111.242 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 26' ' ' LEU . 36.4 mt -62.46 -76.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.11 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.65 ' HB3' HD13 ' B' ' 26' ' ' LEU . 2.3 pp20? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.106 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.437 ' O ' ' HD3' ' B' ' 7' ' ' LYS . 10.0 mt-30 . . . . . 0 C--O 1.23 0.031 0 CA-C-O 120.976 0.417 . . . . 0.0 111.385 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.18 -28.87 56.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.607 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.686 HD23 ' HG2' ' B' ' 8' ' ' ARG . 8.9 mt -112.35 -45.73 3.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.65 0.738 . . . . 0.0 109.809 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.472 ' HB2' HD13 ' A' ' 5' ' ' LEU . 1.1 ttpp -45.68 -36.63 5.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.625 -1.171 . . . . 0.0 111.125 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.437 ' HD3' ' O ' ' B' ' 3' ' ' GLN . 0.1 OUTLIER -84.3 -39.23 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.844 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.686 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -58.72 -25.12 62.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.658 HG22 HG22 ' A' ' 9' ' ' VAL . 58.9 t -65.98 -44.69 92.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.598 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 1.4 pp0? -53.05 -25.17 11.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.104 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.39 -5.31 44.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.742 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.713 HD11 HG13 ' A' ' 9' ' ' VAL . 0.7 OUTLIER -108.04 -48.25 3.41 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.917 0.389 . . . . 0.0 111.109 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.411 ' HB3' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -78.27 -19.11 54.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.686 -179.426 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -57.11 -48.6 78.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.824 0.345 . . . . 0.0 111.335 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -38.59 14.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.41 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 49.3 t-20 -56.67 -41.76 77.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.173 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -51.52 -37.53 49.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.059 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.81 -47.65 37.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.043 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.763 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.7 OUTLIER -64.33 -53.66 45.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.955 0.407 . . . . 0.0 110.14 179.737 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -44.89 -27.29 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.472 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.07 -43.33 11.77 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.275 -0.421 . . . . 0.0 112.007 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.688 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.11 -33.85 16.11 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.8 HG22 HG22 ' A' ' 23' ' ' VAL . 53.4 t -38.62 -63.67 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -179.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -55.26 -29.38 57.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.12 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' B' ' 22' ' ' LYS . . . -72.14 -38.77 69.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.085 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.688 HD11 ' HD3' ' B' ' 22' ' ' LYS . 28.5 mt -67.43 -39.88 85.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.465 -179.919 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.874 0.369 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -54.2 -44.25 71.43 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.07 -29.15 70.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.713 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.575 ' HG2' HG21 ' B' ' 9' ' ' VAL . 25.0 tt0 -58.19 -27.3 63.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.494 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.777 HG13 HD11 ' B' ' 12' ' ' LEU . 99.1 t -84.79 -48.59 16.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.155 179.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.62 -27.26 64.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.396 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -58.74 -63.56 1.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.579 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.507 HD13 ' N ' ' B' ' 13' ' ' LYS . 53.3 mt -66.96 -39.73 87.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.639 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -48.55 -28.36 3.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.869 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.24 -42.22 16.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.713 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -76.7 -57.45 3.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.525 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 12' ' ' LEU . 59.0 t-20 -49.39 -28.31 4.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.023 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -73.8 -33.29 64.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.484 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -63.21 -28.69 70.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.99 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.775 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.1 mt -92.34 -56.53 3.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -46.66 -31.41 2.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -70.74 -36.17 73.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -88.26 -27.35 21.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.445 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 19' ' ' LEU . 11.6 t -80.68 -51.18 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.465 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.23 -39.91 88.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.555 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -70.58 -43.81 68.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.585 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.733 HD13 ' HB2' ' B' ' 26' ' ' LEU . 11.7 mt -54.99 -69.5 0.13 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.208 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.714 ' HG2' HD13 ' B' ' 26' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.819 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.674 0.273 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.18 -24.69 54.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.446 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.517 ' CD2' HG21 ' A' ' 9' ' ' VAL . 4.8 mt -110.39 -44.94 3.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.718 0.771 . . . . 0.0 109.68 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.48 -45.07 25.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.471 -1.24 . . . . 0.0 111.37 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -6.51 58.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.545 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.503 ' HE ' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -89.4 -24.92 21.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.782 0.325 . . . . 0.0 111.251 -179.862 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.575 HG21 ' HG2' ' A' ' 8' ' ' GLU . 69.1 t -53.45 -46.59 59.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.61 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 12.8 pt20 -54.06 -24.33 16.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.049 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' B' ' 8' ' ' ARG . . . -73.98 -22.32 59.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.543 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.777 HD11 HG13 ' A' ' 9' ' ' VAL . 1.1 mt -89.37 -39.42 13.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.892 0.377 . . . . 0.0 110.853 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.526 ' HA ' ' HB3' ' B' ' 16' ' ' ASN . 0.0 OUTLIER -85.77 -21.08 28.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.526 -179.597 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -53.8 -46.34 71.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.015 0.436 . . . . 0.0 110.514 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.761 ' HD2' HD21 ' B' ' 19' ' ' LEU . 0.0 OUTLIER -88.35 -54.75 4.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.777 178.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.526 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 45.7 t30 -38.9 -33.51 0.12 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.655 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -67.67 -66.8 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.961 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.49 -54.38 37.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.068 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.945 ' O ' HG23 ' B' ' 23' ' ' VAL . 10.9 mt -48.67 -51.12 30.08 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.704 0.288 . . . . 0.0 110.634 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.597 ' CD ' HD11 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -41.57 -32.7 0.38 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.313 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -87.63 -41.12 13.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.139 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.505 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.55 -4.93 56.54 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.567 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.945 HG23 ' O ' ' B' ' 19' ' ' LEU . 59.1 t -49.15 -52.42 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.714 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.419 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 3.5 pt20 -69.69 -29.23 66.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.702 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.9 -32.95 74.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.774 ' CD1' HG13 ' A' ' 23' ' ' VAL . 19.1 mt -67.91 -55.01 14.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.5 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.427 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.66 HD13 ' HB2' ' B' ' 6' ' ' LYS . 40.4 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.816 0.341 . . . . 0.0 110.66 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -58.81 -33.87 70.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.605 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -80.51 -27.7 37.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.505 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.571 ' HG2' HG11 ' B' ' 9' ' ' VAL . 60.3 tt0 -55.81 -28.32 55.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.662 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.578 HG13 HD11 ' B' ' 12' ' ' LEU . 96.0 t -75.64 -55.34 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.557 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.07 -26.83 61.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.629 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -64.94 -57.67 8.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.655 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.603 HD12 HG13 ' B' ' 9' ' ' VAL . 42.2 mt -68.86 -31.41 70.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.793 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -58.62 -28.25 65.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.595 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.16 -39.24 12.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.68 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -77.46 -57.02 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.667 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 12' ' ' LEU . 44.5 t30 -50.65 -32.47 19.2 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -83.31 -28.55 28.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -74.67 -26.37 59.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.164 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.89 ' O ' HG23 ' A' ' 23' ' ' VAL . 48.7 mt -95.77 -51.68 4.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.113 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -48.43 -28.88 3.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 111.074 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -28.4 21.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.49 -38.27 20.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.879 0.371 . . . . 0.0 110.833 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 19' ' ' LEU . 5.4 t -63.52 -31.15 51.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.724 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.46 -13.04 61.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.202 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.65 -2.92 11.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.322 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.0 mt -97.54 -52.95 3.6 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 120.677 0.275 . . . . 0.0 111.58 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.541 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.448 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 16.9 pt20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.9 0.381 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.88 -26.89 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.846 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.422 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 10.4 mt -112.39 -46.97 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.659 0.742 . . . . 0.0 109.684 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.66 ' HB2' HD13 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -49.03 -30.98 6.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.508 -1.223 . . . . 0.0 110.879 179.301 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.411 ' HD2' ' O ' ' B' ' 3' ' ' GLN . 0.6 OUTLIER -81.28 -27.08 35.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.196 -179.895 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.422 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -76.07 -25.57 55.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.757 0.313 . . . . 0.0 110.892 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.603 HG13 HD12 ' A' ' 12' ' ' LEU . 59.7 t -62.16 -30.04 47.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.581 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 3.0 pp0? -60.21 -21.06 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.985 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.25 6.37 19.8 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.783 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.578 HD11 HG13 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -121.52 -39.94 2.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.772 0.32 . . . . 0.0 110.877 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.401 ' HA ' ' HB3' ' B' ' 16' ' ' ASN . 0.0 OUTLIER -88.87 -21.4 23.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.444 -179.775 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -53.63 -58.53 6.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.878 0.371 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -41.53 59.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.401 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 58.4 t-20 -56.89 -49.59 75.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.023 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -48.5 -39.37 22.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.081 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.43 -48.85 66.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.939 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.6 OUTLIER -67.21 -52.77 37.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 109.982 179.72 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -42.05 -30.5 0.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.62 -39.79 36.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.315 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.564 ' HG2' ' HA ' ' B' ' 19' ' ' LEU . 13.6 ptmt -88.19 -41.22 13.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.944 -179.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.939 HG23 ' O ' ' B' ' 19' ' ' LEU . 39.8 t -31.29 -56.3 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -60.01 -46.02 90.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' B' ' 22' ' ' LYS . . . -58.83 -38.81 79.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.541 HD22 ' HB3' ' A' ' 27' ' ' GLU . 23.7 mt -66.59 -58.32 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.603 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.509 HD22 ' HA ' ' B' ' 6' ' ' LYS . 15.8 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.764 0.316 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.858 ' HG2' HD13 ' B' ' 5' ' ' LEU . 2.9 mt-10 -62.16 -46.59 88.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -63.27 -36.84 85.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.715 ' HG2' HG11 ' B' ' 9' ' ' VAL . 1.5 tt0 -63.07 -19.26 64.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.097 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.603 HG22 HG22 ' B' ' 9' ' ' VAL . 77.3 t -77.21 -59.96 2.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.766 0.317 . . . . 0.0 110.544 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.16 -26.38 50.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.74 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -64.61 -45.87 85.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.64 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 19.9 mt -86.42 -32.5 20.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.032 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -59.67 -23.96 63.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.138 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.17 -34.14 15.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.184 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -89.43 -53.28 4.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 12' ' ' LEU . 48.3 t30 -49.55 -30.14 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.283 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -85.06 -30.87 23.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.101 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -70.04 -31.25 68.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.351 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.799 ' O ' HG23 ' A' ' 23' ' ' VAL . 52.8 mt -87.0 -38.46 16.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.093 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -53.8 -25.98 21.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.123 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -95.68 -24.61 16.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.134 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -89.96 -23.1 21.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.228 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.809 HG21 ' HB3' ' B' ' 19' ' ' LEU . 15.9 t -90.02 -28.22 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.265 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.64 -26.0 20.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.516 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -104.46 -40.05 6.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.136 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.433 ' HB3' ' CB ' ' B' ' 26' ' ' LEU . 80.2 mt -59.17 -33.25 70.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.871 ' HA ' HD22 ' B' ' 26' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.919 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 121.23 0.538 . . . . 0.0 112.031 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.31 -17.35 7.48 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.765 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.858 HD13 ' HG2' ' A' ' 6' ' ' GLU . 10.7 mt -105.45 -11.29 16.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.459 0.647 . . . . 0.0 110.323 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.509 ' HA ' HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -89.78 -70.55 0.66 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.993 -179.193 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.4 -26.19 40.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.948 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.738 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -64.6 -31.6 72.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.944 -179.813 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.715 HG11 ' HG2' ' A' ' 8' ' ' GLU . 99.6 t -61.78 -48.93 86.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.539 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.699 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 1.9 mt-30 -55.54 -24.28 31.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.777 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.43 -20.65 54.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.465 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.454 HD12 HD12 ' A' ' 12' ' ' LEU . 0.7 OUTLIER -87.75 -47.64 8.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.094 0.473 . . . . 0.0 110.38 179.827 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.74 -23.22 49.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.593 -179.508 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -53.25 -58.48 6.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.92 0.39 . . . . 0.0 110.861 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.416 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 3.3 tpt180 -74.84 -49.61 19.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.468 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.578 ' OD1' HD12 ' A' ' 19' ' ' LEU . 38.8 t-20 -49.6 -52.52 29.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.2 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -51.29 -40.7 59.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.944 0.402 . . . . 0.0 110.714 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.42 -48.94 73.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.608 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.952 ' O ' HG23 ' B' ' 23' ' ' VAL . 1.3 mt -61.3 -56.44 20.49 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.422 ' HD3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -39.17 -31.2 0.07 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.683 179.539 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -83.17 -41.75 18.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.878 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.543 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.1 OUTLIER -90.31 -23.73 21.07 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.716 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.952 HG23 ' O ' ' B' ' 19' ' ' LEU . 65.8 t -41.38 -66.78 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 120.72 0.295 . . . . 0.0 111.388 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -57.89 -31.05 66.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.711 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' B' ' 22' ' ' LYS . . . -66.61 -39.87 88.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.749 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.871 HD22 ' HA ' ' A' ' 27' ' ' GLU . 76.7 mt -60.6 -64.1 1.07 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.525 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.077 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.619 HD22 ' CD ' ' B' ' 6' ' ' LYS . 13.8 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.86 0.362 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.486 ' HG2' HD13 ' B' ' 5' ' ' LEU . 2.5 mt-10 -61.14 -66.37 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.723 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.7 -21.77 30.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.949 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 50.8 tt0 -57.63 -31.08 65.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.88 0.371 . . . . 0.0 110.2 179.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.595 HG13 HD11 ' B' ' 12' ' ' LEU . 12.4 t -78.83 -48.54 21.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.933 178.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.85 -30.38 5.73 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 121.324 0.583 . . . . 0.0 109.614 178.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.24 -73.9 0.12 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.48 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.021 HD12 HD12 ' B' ' 12' ' ' LEU . 0.6 OUTLIER -38.36 -61.47 0.68 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.368 179.318 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.806 ' HG3' HD13 ' B' ' 12' ' ' LEU . 50.6 mt-10 -52.58 -30.01 28.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.349 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.49 -36.75 16.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.168 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -90.14 -53.99 4.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.827 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.632 ' N ' ' O ' ' A' ' 12' ' ' LEU . 52.5 t-20 -47.94 -28.71 2.85 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.795 0.331 . . . . 0.0 110.907 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -80.67 -45.87 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.18 -41.96 60.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.891 ' O ' HG23 ' A' ' 23' ' ' VAL . 94.6 mt -73.59 -51.47 16.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.655 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -49.23 -28.24 4.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.24 -28.64 27.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -89.4 -29.56 18.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 19' ' ' LEU . 10.3 t -75.04 -27.81 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.135 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.25 -26.9 53.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.3 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -95.74 -33.15 12.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.953 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' A' ' 23' ' ' VAL . 50.3 mt -59.61 -69.22 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.948 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.585 ' HB3' HD22 ' B' ' 26' ' ' LEU . 7.9 pt-20 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.478 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 8.5 pt20 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.698 0.285 . . . . 0.0 111.378 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.77 -29.93 42.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.68 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.486 HD13 ' HG2' ' A' ' 6' ' ' GLU . 8.5 mt -110.01 -43.45 3.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.686 0.755 . . . . 0.0 109.637 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.619 ' CD ' HD22 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -51.69 -44.4 63.12 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.352 -1.295 . . . . 0.0 111.242 179.601 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -76.55 -24.52 53.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.328 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.49 ' CD ' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -68.71 -25.63 64.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.107 -179.771 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 1.005 HG13 HD11 ' A' ' 12' ' ' LEU . 77.1 t -58.0 -31.82 42.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-O 121.132 0.491 . . . . 0.0 109.876 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.788 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 41.2 mt-30 -66.48 -12.51 57.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.934 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -91.26 -31.87 15.96 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 1.021 HD12 HD12 ' A' ' 12' ' ' LEU . 1.1 mt -91.41 -85.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.674 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.79 ' CD ' HD22 ' A' ' 12' ' ' LEU . 8.1 tptt -43.0 -29.62 0.35 Allowed 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 123.435 0.694 . . . . 0.0 112.753 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.788 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -43.07 -38.51 2.38 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 121.295 0.569 . . . . 0.0 110.634 -177.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.802 ' CD ' HD11 ' B' ' 19' ' ' LEU . 5.1 tmm_? -90.34 -30.15 17.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.175 178.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.634 ' OD1' HD12 ' A' ' 19' ' ' LEU . 63.9 t-20 -60.7 -50.93 71.51 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.938 0.399 . . . . 0.0 111.091 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -53.61 -30.3 41.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.273 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.51 -55.44 5.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.282 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.802 HD11 ' CD ' ' B' ' 15' ' ' ARG . 1.1 mt -58.74 -52.32 66.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.791 0.329 . . . . 0.0 110.188 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.51 ' CD ' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -44.5 -29.34 0.69 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.597 179.741 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -86.01 -40.11 16.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.854 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.471 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.46 -5.56 55.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -178.823 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.7 HG23 ' O ' ' B' ' 19' ' ' LEU . 19.7 t -43.54 -65.53 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-O 120.748 0.309 . . . . 0.0 111.356 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -67.69 -32.1 72.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.601 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.429 ' HB3' ' HA ' ' B' ' 22' ' ' LYS . . . -62.14 -31.73 72.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.68 HD12 HG13 ' A' ' 23' ' ' VAL . 22.8 mt -69.54 -63.6 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.745 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.443 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.192 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.816 HD13 ' N ' ' B' ' 6' ' ' LYS . 10.5 mt . . . . . 0 C--O 1.231 0.114 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -45.94 67.13 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.95 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 1.3 mptt -66.96 -26.72 66.96 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.251 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.433 ' HG2' HG11 ' B' ' 9' ' ' VAL . 1.5 tt0 -71.11 -21.76 62.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.988 178.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.903 HG21 ' NE ' ' B' ' 8' ' ' ARG . 43.8 t -76.36 -59.25 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.331 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.7 -29.34 17.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.981 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.27 -56.46 20.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.457 179.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.572 HD12 HG13 ' B' ' 9' ' ' VAL . 61.2 mt -70.37 -31.57 68.87 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.866 0.365 . . . . 0.0 110.696 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -59.72 -25.72 65.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.662 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.04 -35.8 15.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.766 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -82.97 -57.78 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.591 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 12' ' ' LEU . 37.9 t30 -47.71 -31.05 4.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -82.75 -39.64 21.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.834 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.98 -27.84 68.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.246 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.885 ' O ' HG23 ' A' ' 23' ' ' VAL . 62.0 mt -90.37 -52.34 4.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.161 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -47.7 -28.34 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 111.35 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.45 -28.5 16.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.154 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.06 -33.54 24.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.995 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 19' ' ' LEU . 22.1 t -62.86 -32.9 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.033 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.65 -27.7 68.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.035 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -93.24 -34.33 13.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 23' ' ' VAL . 63.2 mt -57.63 -57.2 13.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.55 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.559 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.303 0 CA-C-O 121.4 0.619 . . . . 0.0 110.309 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -45.91 -50.51 14.47 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.419 177.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.744 ' O ' HG23 ' B' ' 9' ' ' VAL . 5.9 mt -123.22 -9.18 8.14 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.243 -1.799 . . . . 0.0 108.709 177.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.816 ' N ' HD13 ' A' ' 5' ' ' LEU . 8.7 ttpp -81.1 -20.92 40.42 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.363 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.421 ' HB3' ' CG ' ' B' ' 3' ' ' GLN . 2.0 ptmt -78.89 -20.48 49.36 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 177.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.903 ' NE ' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -90.05 -30.13 17.93 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.119 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.774 HG22 HG22 ' A' ' 9' ' ' VAL . 91.6 t -63.81 -31.31 52.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.599 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.651 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 4.5 mt-30 -59.74 -21.82 61.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.053 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.7 2.67 25.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.947 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.785 HD11 HG13 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -113.93 -50.43 2.83 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.897 0.379 . . . . 0.0 110.822 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.427 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -78.94 -19.09 52.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.596 -179.652 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -55.82 -62.33 1.77 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.898 0.38 . . . . 0.0 111.035 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -71.05 -39.11 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.767 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.884 ' OD1' HD12 ' A' ' 19' ' ' LEU . 41.4 t-20 -60.43 -43.1 97.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.955 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -52.17 -36.87 52.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.142 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.05 -49.67 48.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.863 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.9 OUTLIER -65.67 -51.58 58.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.837 0.351 . . . . 0.0 110.091 179.623 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.63 ' HG3' HD11 ' A' ' 19' ' ' LEU . 5.5 tttm -45.76 -29.72 1.4 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.287 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.87 -42.37 21.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.634 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -14.49 33.4 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.863 HG23 ' O ' ' B' ' 19' ' ' LEU . 42.5 t -46.82 -67.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.798 0.332 . . . . 0.0 111.187 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -59.78 -29.12 67.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.867 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.67 -38.87 84.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.028 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.55 HD22 ' HB3' ' A' ' 27' ' ' GLU . 39.1 mt -62.58 -61.0 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.527 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.686 HD13 ' HB2' ' B' ' 6' ' ' LYS . 46.6 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -62.89 -39.86 95.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -75.17 -30.55 60.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.748 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.691 ' HG2' HG11 ' B' ' 9' ' ' VAL . 28.3 tt0 -58.63 -25.4 62.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.719 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.616 HG13 HD11 ' B' ' 12' ' ' LEU . 93.8 t -81.53 -55.03 8.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.416 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.82 -25.95 21.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.652 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -65.08 -47.58 76.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.424 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.452 HD12 HG13 ' B' ' 9' ' ' VAL . 19.6 mt -85.99 -48.47 8.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.693 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -46.83 -28.67 1.64 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.225 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.66 -31.51 22.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.096 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.444 ' OE2' HD11 ' A' ' 19' ' ' LEU . 5.7 tm-20 -90.06 -56.41 3.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' LEU . 40.2 t30 -49.63 -44.58 47.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.202 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -67.63 -41.99 83.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.98 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -59.79 -32.2 70.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.86 ' O ' HG23 ' A' ' 23' ' ' VAL . 68.8 mt -89.64 -45.81 9.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.09 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -47.01 -28.73 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.339 . . . . 0.0 111.263 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.0 tp60 -94.41 -31.02 14.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.409 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -79.69 -26.2 41.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.749 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 19' ' ' LEU . 25.1 t -75.77 -26.44 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.147 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.77 -16.93 60.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.552 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -111.89 -34.15 6.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.603 0.239 . . . . 0.0 111.309 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.544 HD22 ' HB3' ' B' ' 27' ' ' ARG . 50.5 mt -55.18 -49.53 71.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.271 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.473 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 0.4 OUTLIER . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.667 0.27 . . . . 0.0 111.337 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' B' ' 3' ' ' GLN . . . -56.71 -29.59 62.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.378 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.705 HD23 ' HG2' ' B' ' 8' ' ' ARG . 10.0 mt -111.13 -44.52 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.711 0.767 . . . . 0.0 109.762 179.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.686 ' HB2' HD13 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -48.11 -35.05 10.73 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.368 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -90.04 -28.71 18.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.427 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.705 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -65.65 -27.44 68.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.722 0.296 . . . . 0.0 110.987 -179.84 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.691 HG11 ' HG2' ' A' ' 8' ' ' GLU . 54.7 t -59.05 -41.49 83.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.509 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 30.5 mt-30 -57.59 -22.31 44.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.025 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.97 2.03 40.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.815 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.616 HD11 HG13 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -114.6 -37.8 4.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.833 0.349 . . . . 0.0 110.84 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.41 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -90.1 -21.92 22.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.462 -179.498 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -59.72 -51.8 68.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -83.88 -33.94 24.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.984 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -63.22 -47.32 83.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -48.87 -30.3 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.141 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.76 -53.18 8.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.899 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.744 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.8 OUTLIER -63.73 -51.72 63.67 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.478 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.407 ' HG3' HD11 ' A' ' 19' ' ' LEU . 2.4 tttt -44.42 -29.61 0.72 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.201 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -85.58 -39.56 17.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.693 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.418 ' CG ' ' HA ' ' B' ' 19' ' ' LEU . 0.2 OUTLIER -90.45 -5.04 56.56 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.848 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.744 HG23 ' O ' ' B' ' 19' ' ' LEU . 21.5 t -47.66 -66.87 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.192 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -62.6 -36.42 82.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.835 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.17 -27.45 63.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.415 HD22 ' HB3' ' A' ' 27' ' ' GLU . 20.5 mt -78.37 -55.47 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.935 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.544 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.295 -179.739 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.557 HD13 ' HB2' ' B' ' 6' ' ' LYS . 88.7 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.77 0.319 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.759 ' HA ' HD13 ' B' ' 5' ' ' LEU . 1.1 mt-10 -57.86 -74.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.573 179.701 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -23.92 44.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.783 179.706 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.683 ' HG2' HG11 ' B' ' 9' ' ' VAL . 5.4 tt0 -58.12 -28.62 64.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.875 0.369 . . . . 0.0 110.503 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.701 HG22 HG22 ' B' ' 9' ' ' VAL . 79.6 t -72.89 -57.56 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.448 179.592 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.77 -26.3 33.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.652 179.441 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -53.94 32.2 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.54 179.642 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.461 ' CB ' ' HB2' ' B' ' 12' ' ' LEU . 46.9 mt -73.43 -31.11 63.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.733 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -60.45 -25.71 66.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.827 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.86 -36.72 14.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.98 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.08 -54.64 5.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.767 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.422 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 38.8 t30 -51.81 -31.05 25.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.001 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -77.28 -41.82 39.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -56.91 -26.2 58.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.316 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.89 ' O ' HG23 ' A' ' 23' ' ' VAL . 53.4 mt -95.7 -47.2 6.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.979 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -48.81 -27.77 3.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.332 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -93.4 -29.35 15.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -83.03 -25.91 31.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.028 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 19' ' ' LEU . 21.4 t -77.03 -32.08 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.61 -34.18 72.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.003 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -80.18 -38.95 30.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.489 HD13 ' HB2' ' B' ' 26' ' ' LEU . 40.2 mt -60.17 -66.86 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.516 ' HB3' HD22 ' B' ' 26' ' ' LEU . 19.3 pt-20 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.467 ' HG2' ' N ' ' B' ' 4' ' ' ALA . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.082 0 CA-C-O 120.646 0.26 . . . . 0.0 111.599 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.467 ' N ' ' HG2' ' B' ' 3' ' ' GLN . . . -63.49 -25.55 68.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.749 0.309 . . . . 0.0 111.428 -179.816 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.759 HD13 ' HA ' ' A' ' 6' ' ' GLU . 12.1 mt -110.87 -48.4 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.731 0.777 . . . . 0.0 109.643 179.254 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.557 ' HB2' HD13 ' A' ' 5' ' ' LEU . 9.4 ttpp -45.12 -41.85 8.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.442 -1.254 . . . . 0.0 110.997 179.142 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.423 ' HD3' ' O ' ' B' ' 3' ' ' GLN . 10.8 mtpt -71.7 -38.83 70.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.605 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -70.34 -26.89 63.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.314 -179.694 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 9' ' ' VAL . 89.4 t -67.6 -50.65 59.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.776 0.322 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.526 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 1.2 pt20 -50.34 -29.01 8.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.013 -179.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.53 -18.98 63.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.578 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.555 HD11 HG13 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -92.41 -41.43 10.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.884 0.373 . . . . 0.0 110.932 -179.912 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -85.5 -25.93 26.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.719 -179.424 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -54.09 -53.48 52.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.964 0.411 . . . . 0.0 110.958 179.796 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.637 ' HG3' HD21 ' B' ' 19' ' ' LEU . 2.9 tpt85 -80.41 -45.29 17.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.589 179.622 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.604 ' OD1' HD12 ' A' ' 19' ' ' LEU . 49.7 t-20 -53.59 -51.02 64.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.021 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -53.56 -29.02 35.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.669 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.33 -44.81 24.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.019 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.925 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.7 OUTLIER -63.76 -56.39 15.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 179.694 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.456 ' HG3' HD11 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -42.8 -28.67 0.26 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.663 179.733 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -86.72 -39.66 15.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.76 -179.568 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.557 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.1 OUTLIER -90.29 -20.8 22.52 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.047 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.925 HG23 ' O ' ' B' ' 19' ' ' LEU . 73.4 t -42.04 -43.31 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 120.764 0.316 . . . . 0.0 111.378 -179.419 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.411 ' HA ' ' HD3' ' B' ' 27' ' ' ARG . 28.7 pt20 -74.17 -34.17 63.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.696 179.662 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.43 -30.25 71.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.953 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.865 ' CD1' HG13 ' A' ' 23' ' ' VAL . 36.1 mt -72.38 -63.49 1.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.798 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.411 ' HD3' ' HA ' ' B' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.449 -179.883 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.772 HD22 ' HA ' ' B' ' 6' ' ' LYS . 6.6 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.839 0.352 . . . . 0.0 110.671 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.655 ' HG2' HD13 ' B' ' 5' ' ' LEU . 3.9 mt-10 -60.54 -37.97 82.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -87.85 -27.96 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.745 ' HG2' HG11 ' B' ' 9' ' ' VAL . 3.4 tt0 -59.36 -25.35 64.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.125 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.673 HG11 ' NH2' ' B' ' 8' ' ' ARG . 69.7 t -74.91 -59.06 3.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.835 0.35 . . . . 0.0 110.49 179.534 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.59 -26.28 21.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.685 179.397 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -65.53 -50.95 63.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.565 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 32.5 mt -78.51 -30.98 47.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.729 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.622 ' OE1' HG12 ' A' ' 9' ' ' VAL . 26.6 mt-10 -59.85 -27.03 66.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.731 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.92 -37.34 14.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -80.36 -54.82 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.681 179.777 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 12' ' ' LEU . 43.7 t-20 -52.46 -31.76 36.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.992 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -73.79 -42.46 60.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -24.85 53.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.419 -179.622 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.871 ' O ' HG23 ' A' ' 23' ' ' VAL . 44.4 mt -97.79 -48.76 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.067 -179.751 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -49.21 -28.51 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.206 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.26 -30.37 20.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.1 -179.906 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -83.27 -37.52 23.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 19' ' ' LEU . 10.9 t -64.6 -39.59 86.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.071 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.63 -27.15 64.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.231 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -97.3 -40.37 8.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 35.7 mt -59.41 -68.75 0.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.499 ' HB3' HD22 ' B' ' 26' ' ' LEU . 1.1 pt-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.523 ' HA ' ' HE3' ' B' ' 7' ' ' LYS . 14.7 pt20 . . . . . 0 N--CA 1.46 0.073 0 CA-C-O 120.836 0.351 . . . . 0.0 111.423 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.87 -25.31 61.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.263 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.712 HD23 ' HD3' ' B' ' 8' ' ' ARG . 2.9 mt -111.42 -48.84 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.677 0.751 . . . . 0.0 109.536 179.589 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.772 ' HA ' HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -43.72 -32.09 0.94 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.255 179.185 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.523 ' HE3' ' HA ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -90.11 -31.32 17.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.334 -179.693 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.712 ' HD3' HD23 ' B' ' 5' ' ' LEU . 0.1 OUTLIER -73.3 -16.29 61.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.256 -179.715 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.745 HG11 ' HG2' ' A' ' 8' ' ' GLU . 98.7 t -74.64 -51.97 20.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.867 0.365 . . . . 0.0 110.474 179.313 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.531 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 0.2 OUTLIER -49.63 -29.77 7.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.093 -179.779 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.71 -20.55 65.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.516 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.585 HD11 HG13 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -91.05 -44.79 9.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.95 0.405 . . . . 0.0 110.812 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -80.71 -24.68 38.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.53 -179.55 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -54.06 -53.15 57.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.845 0.355 . . . . 0.0 110.953 179.853 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.471 ' HG3' HD21 ' B' ' 19' ' ' LEU . 16.9 tpp180 -82.79 -41.34 19.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.595 179.76 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.793 ' OD1' HD12 ' A' ' 19' ' ' LEU . 49.0 t30 -55.05 -49.2 72.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -51.55 -32.47 28.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.728 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.38 -44.67 35.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.05 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.856 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.8 OUTLIER -62.47 -56.8 14.66 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.698 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.73 -28.86 0.16 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.695 179.857 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -85.19 -41.23 15.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.692 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.655 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.28 -32.36 16.56 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.105 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.856 HG23 ' O ' ' B' ' 19' ' ' LEU . 86.0 t -38.93 -58.0 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 120.715 0.293 . . . . 0.0 111.722 -179.338 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.431 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 2.5 pt20 -61.65 -34.63 76.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.96 -43.14 93.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.093 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.655 HD11 ' HD3' ' B' ' 22' ' ' LYS . 56.7 mt -60.23 -60.83 3.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.431 ' CD ' ' HA ' ' B' ' 24' ' ' GLN . 2.2 ptt180 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.605 HD22 ' HD3' ' B' ' 6' ' ' LYS . 18.2 mt . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.768 0.318 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -76.98 -60.74 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.651 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -60.6 -29.85 69.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.777 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.685 ' HG2' HG11 ' B' ' 9' ' ' VAL . 3.9 tt0 -55.63 -27.27 48.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.783 ' CG2' HG22 ' B' ' 9' ' ' VAL . 75.7 t -71.31 -56.65 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.425 179.537 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.65 -27.31 62.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.043 0.449 . . . . 0.0 110.404 179.33 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -50.27 52.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.684 179.65 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.565 HD12 HG13 ' B' ' 9' ' ' VAL . 21.5 mt -78.69 -34.71 45.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.882 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -59.97 -27.53 66.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.889 0.376 . . . . 0.0 110.563 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.04 -36.11 15.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.818 179.541 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -82.38 -57.02 3.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.728 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 12' ' ' LEU . 45.0 t30 -50.97 -35.29 32.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 179.661 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.401 ' CE1' ' OE1' ' A' ' 21' ' ' GLN . 35.4 t80 -74.9 -43.91 51.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.047 -179.89 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -42.52 85.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 -179.765 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.768 ' O ' HG23 ' A' ' 23' ' ' VAL . 10.8 mt -75.21 -50.03 17.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.066 -179.776 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -46.54 -28.85 1.55 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.897 0.38 . . . . 0.0 111.256 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.401 ' OE1' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -83.88 -34.86 24.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.975 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -81.76 -39.36 24.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.761 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 19' ' ' LEU . 16.3 t -62.18 -36.96 77.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.03 -25.67 63.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.113 179.818 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -101.88 -30.02 11.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.607 HD22 ' HB3' ' B' ' 27' ' ' ARG . 19.6 mt -63.53 -47.14 82.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.502 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.65 0.262 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.63 -28.91 68.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.783 0.325 . . . . 0.0 111.463 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.602 HD23 ' HG2' ' B' ' 8' ' ' ARG . 9.4 mt -110.96 -42.7 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.561 0.696 . . . . 0.0 109.831 179.491 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.605 ' HD3' HD22 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -47.05 -30.11 2.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.176 179.54 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.53 -23.91 31.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.354 -179.784 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.602 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -83.13 -26.13 31.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.227 -179.824 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.783 HG22 ' CG2' ' A' ' 9' ' ' VAL . 64.2 t -65.95 -37.27 79.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.621 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -57.75 -21.09 39.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.143 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.52 4.92 25.93 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.843 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.426 HD12 HD12 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -116.75 -50.91 2.59 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.87 0.366 . . . . 0.0 110.745 179.924 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -76.88 -19.97 56.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.423 -179.659 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -56.52 -56.68 18.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 111.158 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -80.88 -38.93 27.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.4 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 58.2 t-20 -55.54 -48.13 75.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.05 -179.92 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -51.12 -30.71 17.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.092 -179.826 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.02 -50.04 12.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.748 ' HB3' HG21 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -64.87 -52.65 55.45 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.589 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.56 -28.83 1.03 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.37 179.718 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -40.59 15.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.676 -179.513 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.454 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.4 -4.02 57.32 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.779 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.711 HG23 ' O ' ' B' ' 19' ' ' LEU . 21.7 t -45.09 -61.47 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 120.835 0.35 . . . . 0.0 111.261 -179.507 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.419 ' HA ' ' CG ' ' B' ' 27' ' ' ARG . 65.9 mt-30 -61.81 -44.81 96.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.78 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.33 -30.61 12.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.26 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.521 ' CD1' HG13 ' A' ' 23' ' ' VAL . 60.1 mt -78.77 -60.85 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.607 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.305 -179.742 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.752 HD21 ' HB2' ' B' ' 6' ' ' LYS . 15.7 mt . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.793 0.33 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.0 -32.04 3.64 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.452 0.644 . . . . 0.0 110.15 179.797 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -77.18 -33.61 56.42 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.782 -179.899 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.621 ' HG2' HG21 ' B' ' 9' ' ' VAL . 2.4 tt0 -67.04 -22.51 65.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.882 178.187 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.755 HG12 ' CD ' ' A' ' 13' ' ' GLU . 94.7 t -81.62 -49.04 18.22 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.723 179.154 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.3 -24.4 43.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.998 178.733 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -56.23 -61.94 2.05 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.21 179.373 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.671 HD12 HD12 ' B' ' 12' ' ' LEU . 13.4 mt -70.77 -52.13 22.63 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 120.471 -0.492 . . . . 0.0 109.961 178.875 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.755 ' CD ' HG12 ' A' ' 9' ' ' VAL . 71.4 mt-10 -34.38 -35.56 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.335 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -64.58 -55.91 17.35 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.417 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' LEU . 2.7 pt-20 -79.04 -43.86 23.39 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.252 178.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.56 ' OD1' ' CB ' ' B' ' 16' ' ' ASN . 0.8 OUTLIER -50.66 -27.78 7.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.96 179.146 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -82.79 -22.69 34.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.696 179.604 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -77.59 0.18 24.07 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.483 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.808 ' O ' HG23 ' A' ' 23' ' ' VAL . 31.5 mt -124.69 -58.95 1.47 Allowed 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.0 109.997 179.536 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -28.4 32.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.084 179.534 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.15 -32.48 10.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.814 179.809 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -77.3 -27.64 53.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.641 179.704 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.015 HG13 HD13 ' B' ' 26' ' ' LEU . 45.8 t -62.55 -44.04 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.172 179.438 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.12 -24.3 25.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.441 179.903 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -104.0 -32.14 9.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.195 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 23' ' ' VAL . 6.4 mt -55.17 -54.73 39.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.024 0.44 . . . . 0.0 111.475 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.64 -178.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.567 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 5.1 mt-30 . . . . . 0 N--CA 1.47 0.559 0 CA-C-O 121.421 0.629 . . . . 0.0 111.845 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.66 -48.14 69.7 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 122.482 1.134 . . . . 0.0 108.128 177.6 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.641 ' O ' HG23 ' B' ' 9' ' ' VAL . 2.7 mt -127.14 -4.84 6.17 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 112.843 -1.98 . . . . 0.0 108.821 177.442 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.752 ' HB2' HD21 ' A' ' 5' ' ' LEU . 7.4 ttpp -84.38 -17.14 40.34 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.152 -179.765 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.465 ' HB3' ' HB3' ' B' ' 3' ' ' GLN . 15.8 ptmt -90.1 -17.42 27.75 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.965 177.667 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.586 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -90.17 -33.73 16.11 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.358 -179.013 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.641 HG23 ' O ' ' B' ' 5' ' ' LEU . 94.9 t -46.39 -46.67 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 120.691 0.281 . . . . 0.0 111.147 -179.523 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.607 ' O ' ' HB3' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -50.5 -31.9 16.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.074 0.464 . . . . 0.0 110.058 179.494 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' B' ' 8' ' ' ARG . . . -60.16 -19.91 56.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.31 179.539 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.676 HD11 HG13 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -95.88 -53.48 3.67 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.865 0.364 . . . . 0.0 110.371 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.51 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.35 -44.72 28.43 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -178.78 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' B' ' 10' ' ' GLN . . . -53.95 -38.06 64.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.683 0.277 . . . . 0.0 111.569 -179.319 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 12.8 tpp85 -90.11 -34.31 15.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.553 -179.747 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.808 ' OD1' HD12 ' A' ' 19' ' ' LEU . 40.9 t30 -74.22 -35.98 63.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.71 0.29 . . . . 0.0 111.352 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -48.29 -47.19 36.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.059 0.456 . . . . 0.0 110.583 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.38 -42.25 98.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.474 -179.65 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.74 ' HA ' ' HG2' ' B' ' 22' ' ' LYS . 1.0 OUTLIER -60.81 -47.65 85.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.965 0.412 . . . . 0.0 110.247 -179.869 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.442 ' HG3' HD11 ' A' ' 19' ' ' LEU . 17.2 tttt -45.42 -28.5 0.89 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.126 179.626 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.55 -34.22 23.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.486 -179.642 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.74 ' HG2' ' HA ' ' B' ' 19' ' ' LEU . 14.9 ptmt -90.05 -9.52 48.24 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.249 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.606 HG22 HD22 ' A' ' 19' ' ' LEU . 61.9 t -40.65 -55.05 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 120.68 0.276 . . . . 0.0 111.493 -179.162 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.432 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 7.8 mt-30 -69.34 -31.5 69.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.629 179.727 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.98 -21.93 65.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 1.015 HD13 HG13 ' A' ' 23' ' ' VAL . 30.8 mt -78.04 -60.05 2.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.432 ' CD ' ' HA ' ' B' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.328 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.722 HD13 ' HB2' ' B' ' 6' ' ' LYS . 9.6 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.772 0.32 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -73.76 -56.55 4.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.002 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -62.18 -29.21 70.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.525 ' HG2' HG11 ' B' ' 9' ' ' VAL . 57.5 tt0 -58.51 -25.45 62.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 179.842 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.489 HG21 HD22 ' B' ' 5' ' ' LEU . 87.3 t -74.72 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.77 179.796 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.28 -26.11 11.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.944 179.728 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -53.51 33.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.694 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.487 HD12 HG13 ' B' ' 9' ' ' VAL . 32.2 mt -77.52 -31.7 53.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.962 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.7 -25.1 64.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.99 -36.64 14.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.184 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -85.11 -53.67 5.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.437 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 40.4 t30 -49.39 -32.84 12.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.432 ' CE1' ' HG3' ' A' ' 21' ' ' GLN . 31.3 t80 -76.91 -36.68 56.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -59.51 -29.9 68.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.278 -179.705 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.772 ' O ' HG23 ' A' ' 23' ' ' VAL . 37.1 mt -92.3 -53.97 4.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.188 -179.81 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -47.66 -28.13 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.391 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.432 ' HG3' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -91.74 -25.22 19.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.195 -179.846 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -89.54 -34.98 16.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.799 0.333 . . . . 0.0 111.001 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 19' ' ' LEU . 21.9 t -64.49 -28.99 46.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.531 ' HB3' ' OE1' ' A' ' 25' ' ' GLN . . . -58.95 -28.03 65.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.531 ' OE1' ' HB3' ' A' ' 24' ' ' ALA . 2.8 mp0 -99.23 -30.18 12.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.019 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 23' ' ' VAL . 72.5 mt -56.64 -54.89 40.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.03 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.727 ' HB3' HD22 ' B' ' 26' ' ' LEU . 7.5 pt-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.839 0.352 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.6 -27.53 27.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.788 -179.353 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.636 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 12.2 mt -110.35 -46.07 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 0.0 110.05 179.499 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.722 ' HB2' HD13 ' A' ' 5' ' ' LEU . 8.8 ttpt -47.66 -39.14 16.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.259 179.471 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -81.04 -42.41 21.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.369 -179.492 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.636 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -53.76 -25.87 20.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.367 -179.482 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.525 HG11 ' HG2' ' A' ' 8' ' ' GLU . 57.4 t -60.7 -42.98 94.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.568 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -55.83 -22.95 27.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.129 -179.861 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.97 1.31 31.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.848 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.433 HD12 HD12 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -112.25 -51.14 2.86 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.898 0.38 . . . . 0.0 110.819 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.439 ' HB3' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -76.92 -26.17 53.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.586 -179.496 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -52.55 -51.06 61.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.822 0.344 . . . . 0.0 111.131 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.402 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 0.3 OUTLIER -82.14 -47.74 12.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.65 179.686 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.453 ' OD1' HD12 ' A' ' 19' ' ' LEU . 27.4 t30 -51.22 -48.12 62.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -54.2 -34.12 59.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 110.642 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.62 -49.47 21.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.731 ' HB3' HG21 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -61.9 -54.88 35.9 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.496 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.27 -29.54 0.41 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.465 179.681 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -86.52 -40.56 15.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.677 -179.585 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.423 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -90.45 -3.17 57.85 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.904 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.712 HG23 ' O ' ' B' ' 19' ' ' LEU . 19.9 t -46.67 -65.06 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 111.209 -179.564 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -61.56 -41.15 96.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.74 -29.0 37.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.741 ' CD1' HG13 ' A' ' 23' ' ' VAL . 39.1 mt -77.49 -63.72 1.31 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.429 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.19 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.806 HD13 ' HB2' ' B' ' 6' ' ' LYS . 28.2 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.864 0.364 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -56.98 -50.09 73.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -69.51 -24.73 63.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.969 -179.886 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.727 ' OE1' HG21 ' B' ' 9' ' ' VAL . 35.3 tt0 -57.37 -28.54 63.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.596 179.477 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.625 HG13 HD11 ' B' ' 12' ' ' LEU . 98.6 t -77.64 -55.76 9.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.584 179.551 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.83 -28.03 46.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.758 179.604 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -59.71 -55.27 36.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.671 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.454 HD12 HG13 ' B' ' 9' ' ' VAL . 24.3 mt -75.66 -38.22 58.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 179.83 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -51.51 -26.09 7.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.172 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.48 -36.01 22.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.024 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.31 -55.62 3.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.801 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -49.69 -37.11 27.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.046 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -69.97 -44.23 69.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.35 -25.63 59.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.363 -179.798 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.902 HD12 ' OD1' ' B' ' 16' ' ' ASN . 63.6 mt -99.07 -47.96 5.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.028 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -51.09 -26.76 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.146 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.47 -28.62 20.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -85.88 -38.71 17.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.796 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 19' ' ' LEU . 16.4 t -62.19 -39.53 84.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.722 179.858 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.12 -31.49 68.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.713 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -82.36 -39.29 22.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.695 179.759 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.578 HD22 ' HB3' ' B' ' 27' ' ' ARG . 31.8 mt -56.43 -73.52 0.06 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.807 179.822 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.815 ' HB3' HD22 ' B' ' 26' ' ' LEU . 4.9 pt-20 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.86 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.469 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 4.0 pt20 . . . . . 0 C--O 1.229 0.016 0 CA-C-O 120.806 0.336 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.86 -30.14 44.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.593 -179.595 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.473 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 8.0 mt -110.71 -42.8 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.643 0.735 . . . . 0.0 109.945 179.393 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.806 ' HB2' HD13 ' A' ' 5' ' ' LEU . 5.7 ttpp -51.56 -38.26 53.53 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.332 179.703 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.59 -26.06 35.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.364 -179.593 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.473 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -68.55 -24.72 64.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.774 0.321 . . . . 0.0 111.046 -179.921 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.727 HG21 ' OE1' ' A' ' 8' ' ' GLU . 48.1 t -60.01 -43.66 93.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.972 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 1.6 pp0? -53.09 -25.07 11.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 -179.904 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.81 -1.89 30.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.811 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.625 HD11 HG13 ' A' ' 9' ' ' VAL . 0.4 OUTLIER -113.12 -38.66 4.4 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.699 0.285 . . . . 0.0 111.055 -179.807 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.417 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -90.03 -25.18 20.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.728 -179.376 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -58.17 -55.84 29.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.851 0.358 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.578 ' HG3' HD21 ' B' ' 19' ' ' LEU . 4.5 tpp180 -76.75 -49.31 16.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.611 179.845 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.902 ' OD1' HD12 ' A' ' 19' ' ' LEU . 32.6 t30 -50.95 -42.84 60.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.183 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -54.47 -38.29 66.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.714 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.54 -44.92 56.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.961 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.767 ' HB3' HG21 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -61.9 -57.47 11.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.036 179.701 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.528 ' HG3' HD11 ' A' ' 19' ' ' LEU . 6.8 tttt -42.27 -30.92 0.34 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.703 179.826 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -87.87 -40.31 14.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.742 -179.417 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.499 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -90.47 -0.38 57.64 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -178.885 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.758 HG23 ' O ' ' B' ' 19' ' ' LEU . 35.7 t -48.86 -64.08 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.853 0.358 . . . . 0.0 111.001 -179.624 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.92 -34.88 78.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.749 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.84 -31.09 68.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.815 ' CD1' HG13 ' A' ' 23' ' ' VAL . 75.2 mt -72.26 -62.54 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.746 179.81 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.578 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.812 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.6 HD13 ' HB2' ' B' ' 6' ' ' LYS . 6.9 mt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.813 0.34 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.471 ' HG2' HD13 ' B' ' 5' ' ' LEU . 23.5 mt-10 -57.29 -45.37 84.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.135 -179.804 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -73.99 -31.06 62.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.043 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.586 ' HG2' HG11 ' B' ' 9' ' ' VAL . 39.1 tt0 -59.53 -24.24 63.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.074 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.661 ' CG2' HG22 ' B' ' 9' ' ' VAL . 79.1 t -78.51 -59.53 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.615 179.742 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.94 -25.65 12.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.956 0.407 . . . . 0.0 110.958 179.583 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -68.58 -41.05 80.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.818 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.47 HD12 HG13 ' B' ' 9' ' ' VAL . 16.0 mt -92.02 -38.21 12.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.244 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -54.47 -24.54 20.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.125 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.03 -36.97 14.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -84.67 -54.55 4.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.961 -179.907 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' LEU . 35.1 t30 -48.42 -33.07 8.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -81.41 -43.31 19.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.965 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -28.99 65.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.247 -179.671 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.861 ' O ' HG23 ' A' ' 23' ' ' VAL . 22.9 mt -89.3 -45.49 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.176 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.0 -28.26 2.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.308 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -91.17 -30.33 16.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -83.46 -22.88 32.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.083 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 19' ' ' LEU . 11.4 t -86.84 -30.7 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.113 -179.922 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.96 -29.48 68.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.334 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -89.81 -38.86 13.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.166 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.435 HD22 ' HB3' ' B' ' 27' ' ' ARG . 66.5 mt -57.42 -67.12 0.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.077 -179.849 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.659 ' HB3' HD22 ' B' ' 26' ' ' LEU . 2.5 pt-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 . . . . . 0 N--CA 1.461 0.105 0 CA-C-O 120.712 0.292 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.67 -28.11 66.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.464 -179.682 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.637 HD23 ' HG2' ' B' ' 8' ' ' ARG . 9.6 mt -110.78 -44.94 3.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.708 0.766 . . . . 0.0 109.799 179.455 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.6 ' HB2' HD13 ' A' ' 5' ' ' LEU . 1.9 ttpp -45.74 -32.52 2.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.442 -1.254 . . . . 0.0 111.491 179.524 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.19 -18.35 25.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.86 -179.242 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.637 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -81.19 -25.6 36.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.596 0.236 . . . . 0.0 111.479 -179.457 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.661 HG22 ' CG2' ' A' ' 9' ' ' VAL . 60.9 t -64.99 -39.41 85.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.829 0.347 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.545 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -59.22 -18.95 41.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.186 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.21 12.06 16.99 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -179.67 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.458 HD12 HD12 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -121.64 -51.12 2.06 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.006 0.431 . . . . 0.0 110.701 179.709 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -78.74 -22.35 46.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.49 -179.702 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -57.33 -53.38 58.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.327 . . . . 0.0 111.3 -179.85 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -86.78 -34.2 19.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.028 -179.883 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.57 ' OD1' HD12 ' A' ' 19' ' ' LEU . 29.0 t30 -62.46 -44.6 96.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 -179.814 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -54.77 -29.36 53.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.127 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.7 -50.52 15.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.048 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.738 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.9 OUTLIER -62.02 -55.82 25.3 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.625 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.494 ' HD2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -42.64 -29.58 0.3 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.618 179.831 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -85.59 -40.11 16.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.718 -179.396 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.459 ' CD ' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.37 -8.96 49.37 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -178.721 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 19' ' ' LEU . 13.4 t -43.63 -54.86 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 120.837 0.351 . . . . 0.0 111.372 -179.281 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -67.68 -34.71 77.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.79 -29.23 70.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.254 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.663 HD12 HG13 ' A' ' 23' ' ' VAL . 48.7 mt -76.78 -59.59 2.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.435 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.998 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.41 ' HG2' ' CB ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -90.46 23.09 3.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.839 0.352 . . . . 0.0 111.535 . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.777 ' HA ' ' H ' ' B' ' 1' ' ' GLU . 7.1 t -64.43 -38.96 83.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.961 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.13 -5.39 59.1 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.544 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.41 ' CB ' ' HG2' ' A' ' 1' ' ' GLU . 0.0 OUTLIER -90.2 -40.88 11.92 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.533 179.401 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.907 HD11 ' HA ' ' B' ' 1' ' ' GLU . 2.9 mt -58.7 -44.88 90.45 Favored 'General case' 0 CA--C 1.519 -0.227 0 C-N-CA 120.325 -0.55 . . . . 0.0 109.92 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -50.96 -27.38 7.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.534 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.78 -24.79 14.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.51 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -68.4 -22.67 64.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.447 HG12 ' OE1' ' A' ' 13' ' ' GLU . 78.0 t -81.03 -54.61 9.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.259 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.76 -23.94 46.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.999 0.428 . . . . 0.0 110.495 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -67.87 -55.31 13.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.603 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.498 HD12 HD12 ' B' ' 12' ' ' LEU . 28.9 mt -76.47 -46.3 27.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.837 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.447 ' OE1' HG12 ' A' ' 9' ' ' VAL . 29.7 mt-10 -48.26 -28.16 2.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.849 0.357 . . . . 0.0 110.947 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.64 -32.86 28.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.669 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -88.04 -57.1 3.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.537 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 12' ' ' LEU . 18.7 t-20 -47.24 -34.7 6.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.895 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -80.18 -34.52 37.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -29.12 68.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.206 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.767 ' O ' HG23 ' A' ' 23' ' ' VAL . 45.8 mt -87.22 -52.0 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.219 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.29 -28.45 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.468 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -85.12 -29.43 24.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.185 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -89.05 -34.07 16.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.875 0.369 . . . . 0.0 111.026 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 19' ' ' LEU . 11.6 t -71.64 -29.78 35.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.026 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.66 -19.12 63.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.422 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -110.67 -37.1 5.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.345 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 26' ' ' LEU . 26.2 mt -55.91 -62.66 1.55 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.744 0.307 . . . . 0.0 111.211 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.581 ' HB3' HD22 ' B' ' 26' ' ' LEU . 5.3 pt-20 -90.0 59.35 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.985 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -75.95 -43.41 44.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -89.97 -36.2 15.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.58 58.47 5.02 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.45 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 O-C-N 122.768 -0.254 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.76 ' H1 ' HG13 ' A' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.951 ' O ' ' HB2' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -38.63 -53.36 1.62 Allowed 'General case' 0 CA--C 1.466 -2.252 0 CA-C-O 122.192 0.996 . . . . 0.0 109.76 . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 1.22 ' O ' ' N ' ' B' ' 4' ' ' ALA . 0.1 OUTLIER -26.46 118.82 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.412 -2.365 0 CA-C-N 113.549 -1.659 . . . . 0.0 110.112 -178.348 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -27.82 28.62 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.636 1.175 . . . . 0.0 112.4 -178.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 1.22 ' N ' ' O ' ' B' ' 2' ' ' VAL . . . -91.17 -43.56 9.79 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 113.708 -1.587 . . . . 0.0 108.569 177.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.757 ' HB2' HD12 ' A' ' 5' ' ' LEU . 2.2 mt -118.76 -36.63 3.42 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 112.777 -2.01 . . . . 0.0 108.508 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.951 ' HB2' ' O ' ' B' ' 1' ' ' GLU . 7.3 ttpp -55.45 -24.25 29.84 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.981 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.482 ' HE3' ' HA ' ' B' ' 4' ' ' ALA . 0.0 OUTLIER -85.8 -20.18 29.58 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.778 179.159 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.527 ' NE ' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -90.23 -32.64 16.49 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.485 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.477 ' N ' ' HG3' ' B' ' 8' ' ' ARG . 77.3 t -59.76 -35.13 58.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.771 0.32 . . . . 0.0 111.075 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.698 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 29.6 mt-30 -62.7 -15.17 51.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.324 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.07 -12.26 38.97 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.498 HD12 HD12 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -96.92 -51.05 4.4 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.757 0.313 . . . . 0.0 111.259 -179.693 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.488 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.4 -19.29 56.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.797 -178.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -58.47 -58.26 9.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.357 . . . . 0.0 111.31 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.73 -34.65 24.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.676 ' OD1' HD12 ' A' ' 19' ' ' LEU . 46.5 t30 -58.49 -43.25 88.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.252 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -57.92 -32.31 67.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.257 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.49 -53.49 11.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.288 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.961 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.8 OUTLIER -59.35 -54.25 48.91 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.224 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.76 -28.63 0.25 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.524 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -86.8 -39.55 15.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.84 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.618 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.1 OUTLIER -90.35 -20.01 23.35 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.851 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.961 HG23 ' O ' ' B' ' 19' ' ' LEU . 96.7 t -42.21 -62.41 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 120.74 0.305 . . . . 0.0 111.612 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -29.96 69.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.01 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.05 -32.56 73.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.176 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.618 HD11 ' HD3' ' B' ' 22' ' ' LYS . 75.4 mt -72.67 -55.67 6.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -43.4 98.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.029 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -67.88 -66.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -86.47 132.82 33.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -166.73 -74.41 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 O-C-N 122.745 -0.268 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.402 ' CB ' ' CB ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -90.08 135.56 33.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 110.829 . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.9 t -54.63 -65.68 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.02 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.71 69.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.943 0.401 . . . . 0.0 110.675 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.402 ' CB ' ' CB ' ' A' ' 1' ' ' GLU . 1.7 tp-100 -59.41 -28.36 66.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.676 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.621 HD22 ' CG ' ' B' ' 6' ' ' LYS . 6.0 mt -93.87 -31.71 14.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.599 ' HG2' HD13 ' B' ' 5' ' ' LEU . 13.8 mt-10 -67.75 -43.03 80.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.024 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -28.22 65.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.628 ' HG2' HG11 ' B' ' 9' ' ' VAL . 45.4 tt0 -59.47 -25.56 64.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.858 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.785 ' CG2' HG22 ' B' ' 9' ' ' VAL . 78.1 t -77.07 -61.29 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.467 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.45 -27.73 4.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.958 0.408 . . . . 0.0 110.797 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -66.66 -39.79 88.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.704 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.476 HD12 HG13 ' B' ' 9' ' ' VAL . 12.8 mt -92.85 -41.46 10.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -52.48 -24.98 8.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.237 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.2 -35.47 17.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.207 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -87.39 -54.78 4.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.051 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.437 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 48.1 t30 -50.35 -27.91 7.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.353 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -89.1 -48.09 7.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -59.29 -29.64 67.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.867 ' O ' HG23 ' A' ' 23' ' ' VAL . 64.4 mt -77.37 -52.93 8.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.939 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -47.44 -28.7 2.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.842 0.353 . . . . 0.0 111.34 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.08 -27.98 15.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.099 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -83.38 -31.98 26.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.985 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.877 HG13 ' CD1' ' B' ' 26' ' ' LEU . 38.5 t -64.43 -28.88 45.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.055 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.85 -25.38 63.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.233 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.36 -27.76 13.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.122 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' B' ' 27' ' ' ARG . 37.4 mt -57.52 -60.78 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 111.131 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.697 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.8 OUTLIER -85.05 57.42 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.029 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -87.0 -41.53 13.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -31.94 72.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.04 30.49 9.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 O-C-N 122.806 -0.232 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.747 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.23 0.073 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.653 ' H ' ' HB3' ' B' ' 4' ' ' ALA . 2.0 mt-10 -90.18 -165.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 111.204 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.407 ' O ' ' HB3' ' B' ' 6' ' ' LYS . 97.1 t -44.38 -87.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.311 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.462 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 4.2 pm0 -57.48 -36.49 71.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.798 0.332 . . . . 0.0 111.283 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.653 ' HB3' ' H ' ' B' ' 1' ' ' GLU . . . -55.11 -29.93 58.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.51 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.747 HD12 ' O ' ' B' ' 0' ' ' ACE . 9.5 mt -111.1 -45.31 3.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.576 0.703 . . . . 0.0 109.854 179.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.621 ' CG ' HD22 ' A' ' 5' ' ' LEU . 10.6 ttpp -46.71 -33.8 4.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.598 -1.183 . . . . 0.0 111.28 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.415 ' HD3' ' O ' ' B' ' 3' ' ' GLN . 8.3 mtpt -84.62 -43.42 14.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.296 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.554 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -53.55 -24.44 13.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.595 -179.582 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.785 HG22 ' CG2' ' A' ' 9' ' ' VAL . 55.2 t -62.22 -40.66 88.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.187 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.56 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -58.66 -20.63 49.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.232 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.67 8.69 21.39 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.507 HD11 HG13 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -120.46 -50.09 2.23 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.885 0.374 . . . . 0.0 110.687 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.461 ' HB3' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.53 -20.54 54.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.507 -179.658 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -56.54 -51.69 67.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.37 . . . . 0.0 111.381 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.97 -34.04 16.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.077 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.437 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 31.0 t-20 -62.94 -40.47 97.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.02 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -52.72 -33.08 46.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.797 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.6 -46.53 31.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.873 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.7 OUTLIER -65.93 -53.71 35.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.158 179.751 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -44.88 -28.68 0.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.363 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -83.32 -42.04 17.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.516 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.426 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.15 -14.08 34.34 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.349 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.873 HG23 ' O ' ' B' ' 19' ' ' LEU . 43.5 t -48.01 -50.66 10.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.681 0.277 . . . . 0.0 111.06 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.407 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 7.4 mt-30 -70.63 -33.13 70.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.557 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.29 -29.6 70.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.791 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.877 ' CD1' HG13 ' A' ' 23' ' ' VAL . 83.8 mt -70.79 -62.07 1.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.768 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.633 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -54.48 -32.89 58.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.24 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.22 -31.36 69.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 100.65 8.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.84 103.81 0.2 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.514 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 O-C-N 122.792 -0.24 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -78.67 126.48 30.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.5 t -73.35 -58.41 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.277 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.85 -45.16 82.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.189 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -47.48 -29.37 2.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.058 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.755 HD22 ' HA ' ' B' ' 6' ' ' LYS . 51.4 mt -85.53 -37.02 20.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.587 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.45 -27.98 68.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.862 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.45 -32.35 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.484 ' HG2' HG11 ' B' ' 9' ' ' VAL . 64.6 tt0 -61.25 -22.92 65.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.011 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.428 HG13 HD11 ' B' ' 12' ' ' LEU . 94.1 t -80.22 -57.29 5.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.632 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.34 -25.38 23.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -50.72 61.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.659 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' B' ' 13' ' ' LYS . 41.5 mt -80.67 -32.36 36.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -59.89 -24.72 64.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.93 -38.55 13.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.144 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.55 -54.23 5.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.44 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 44.0 t30 -50.67 -30.7 14.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -86.13 -43.19 13.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -57.24 -42.39 81.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.873 HD12 ' OD1' ' B' ' 16' ' ' ASN . 66.4 mt -71.47 -48.34 49.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -51.88 -26.02 9.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.242 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -96.45 -24.85 15.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.198 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -89.94 -26.84 20.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.744 0.306 . . . . 0.0 111.149 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 19' ' ' LEU . 26.3 t -76.27 -29.18 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.122 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.85 -24.1 55.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.296 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -96.88 -37.5 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.142 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.429 HD22 ' HB3' ' B' ' 27' ' ' ARG . 77.7 mt -58.68 -64.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.03 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.467 ' HB3' HD13 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -85.92 57.54 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.898 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -66.85 -30.44 70.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.59 -32.93 70.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -102.71 71.15 0.31 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 O-C-N 122.752 -0.264 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.65 ' O ' ' HB3' ' B' ' 4' ' ' ALA . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -63.81 -65.94 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.951 0.405 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.738 ' O ' ' HB2' ' B' ' 6' ' ' LYS . 13.7 t -87.56 -14.9 9.74 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.48 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -92.62 -69.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.065 0.46 . . . . 0.0 112.12 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' B' ' 0' ' ' ACE . . . -53.15 -17.18 1.46 Allowed 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -178.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.619 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 2.8 mt -102.83 -29.59 11.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.826 0.822 . . . . 0.0 109.817 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.755 ' HA ' HD22 ' A' ' 5' ' ' LEU . 1.3 tptm -70.75 -65.85 0.68 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.163 -1.38 . . . . 0.0 111.551 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -18.35 38.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.974 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.619 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -76.43 -27.1 56.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.674 0.273 . . . . 0.0 111.54 -179.531 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.484 HG11 ' HG2' ' A' ' 8' ' ' GLU . 76.6 t -60.63 -52.19 64.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.644 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 0.2 OUTLIER -52.47 -28.72 21.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.995 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.56 -19.78 62.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.513 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.451 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -90.48 -46.56 8.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.987 0.422 . . . . 0.0 110.864 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.474 ' HB3' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -80.19 -17.34 52.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.663 -179.587 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.644 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -57.37 -54.93 41.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.099 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.31 -36.4 29.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.873 ' OD1' HD12 ' A' ' 19' ' ' LEU . 28.0 t30 -62.74 -39.76 95.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -53.17 -36.56 61.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.378 . . . . 0.0 110.979 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.21 -45.88 62.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.858 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.9 OUTLIER -65.46 -56.08 14.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.075 179.617 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.29 -29.17 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.486 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -82.13 -41.17 20.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.645 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.62 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.18 -34.33 15.87 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.331 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.858 HG23 ' O ' ' B' ' 19' ' ' LEU . 72.8 t -34.37 -56.66 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.78 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' B' ' 28' ' ' HIS . 59.2 mm-40 -68.13 -42.67 79.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.557 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.12 -32.37 61.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.62 HD11 ' HD3' ' B' ' 22' ' ' LYS . 80.6 mt -72.87 -63.11 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.783 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.429 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -53.5 -31.8 47.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.423 -179.687 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' B' ' 24' ' ' GLN . 0.5 OUTLIER -90.02 -75.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 179.85 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.94 139.75 45.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.59 -38.79 1.86 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 O-C-N 122.735 -0.274 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.01 102.3 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.666 HG22 HG22 ' B' ' 2' ' ' VAL . 21.4 t -90.16 -50.29 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.218 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.0 -35.31 69.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.199 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -56.91 -30.33 63.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.987 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.653 HD22 ' HA ' ' B' ' 6' ' ' LYS . 13.0 mt -90.91 -39.36 12.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.814 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.777 ' HG2' HD13 ' B' ' 5' ' ' LEU . 2.5 mt-10 -59.72 -30.34 68.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -90.65 -27.87 18.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.989 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.58 ' CG ' HG11 ' B' ' 9' ' ' VAL . 26.7 tt0 -59.88 -25.23 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.82 ' CG2' HG22 ' B' ' 9' ' ' VAL . 86.4 t -74.64 -60.67 2.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.614 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.23 -25.27 13.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.8 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -72.48 -43.07 64.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.838 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.538 HD12 HG13 ' B' ' 9' ' ' VAL . 20.1 mt -86.54 -45.49 11.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.121 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.493 ' OE1' HG12 ' A' ' 9' ' ' VAL . 6.0 mt-10 -50.28 -26.47 4.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.269 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.82 -35.09 19.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.7 -55.93 3.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 12' ' ' LEU . 36.3 t30 -48.35 -44.15 34.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.26 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -66.49 -38.42 87.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -70.72 -28.05 64.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.341 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.885 HD12 ' OD1' ' B' ' 16' ' ' ASN . 68.8 mt -90.99 -47.04 7.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.206 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.42 -25.67 10.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.105 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.14 -26.09 15.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.071 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -89.14 -21.08 23.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.099 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 19' ' ' LEU . 21.6 t -89.97 -30.58 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.72 -28.81 57.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.04 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -87.28 -39.94 14.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.757 HD12 ' HA ' ' A' ' 23' ' ' VAL . 15.2 mt -59.58 -62.39 1.91 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.569 ' HG2' HG12 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -90.01 58.98 4.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.969 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -61.12 -50.04 74.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -73.65 -66.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 153.98 -81.18 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.535 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.391 0 O-C-N 122.727 -0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.539 ' H3 ' ' CB ' ' B' ' 4' ' ' ALA . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -90.34 -68.95 0.75 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.855 0.36 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.811 ' O ' ' HB2' ' B' ' 6' ' ' LYS . 17.1 t -86.87 -22.76 6.91 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.827 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.649 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -92.27 -63.94 1.17 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.539 ' CB ' ' H3 ' ' B' ' 0' ' ' ACE . . . -54.67 -12.45 0.76 Allowed 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -178.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.882 ' O ' HG23 ' B' ' 9' ' ' VAL . 2.8 mt -110.42 -41.19 4.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.843 0.83 . . . . 0.0 109.603 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.811 ' HB2' ' O ' ' B' ' 2' ' ' VAL . 9.8 ttpp -55.7 -46.03 77.75 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.921 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -79.71 -32.12 41.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.527 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.635 HH21 HG11 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -69.25 -29.82 67.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.347 -179.449 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.882 HG23 ' O ' ' B' ' 5' ' ' LEU . 94.6 t -66.81 -35.66 75.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.389 . . . . 0.0 110.533 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.503 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 36.7 mt-30 -59.15 -19.23 43.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.193 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.2 10.28 17.42 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.497 HD12 HD12 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -119.96 -47.09 2.41 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.958 0.409 . . . . 0.0 110.824 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.454 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -83.76 -28.76 27.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.55 -179.4 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -51.26 -49.19 61.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 111.366 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -88.48 -45.08 10.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.885 ' OD1' HD12 ' A' ' 19' ' ' LEU . 29.0 t30 -56.22 -38.02 70.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.228 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -53.7 -42.38 67.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.027 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.78 -47.72 65.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.973 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.76 ' O ' HG23 ' B' ' 23' ' ' VAL . 1.0 OUTLIER -62.49 -58.66 6.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.456 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.633 ' HG3' HD11 ' A' ' 19' ' ' LEU . 11.5 tttm -40.6 -31.7 0.17 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.667 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -84.0 -43.47 15.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.064 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.532 ' CD ' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.52 -3.63 57.47 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -178.479 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.76 HG23 ' O ' ' B' ' 19' ' ' LEU . 20.1 t -45.79 -63.74 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 117.984 0.356 . . . . 0.0 111.289 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -60.64 -34.57 74.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.69 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.55 -30.13 69.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.052 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.707 HD12 HG13 ' A' ' 23' ' ' VAL . 85.6 mt -79.47 -61.35 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.512 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -55.1 -42.66 73.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -179.767 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -59.36 -52.77 64.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.985 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.05 86.94 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.37 -127.19 4.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 O-C-N 122.777 -0.249 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -90.44 24.5 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.655 0.265 . . . . 0.0 111.429 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 91.2 t -42.68 -54.67 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.629 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.67 -32.13 62.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.273 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -72.98 -8.19 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.387 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.764 HD22 ' CD ' ' B' ' 6' ' ' LYS . 8.7 mt -100.01 -27.95 13.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.697 0.284 . . . . 0.0 111.041 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -86.57 -57.47 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.144 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -56.7 -28.86 61.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.077 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.618 ' HG2' HG11 ' B' ' 9' ' ' VAL . 28.4 tt0 -62.18 -23.31 66.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.939 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.64 ' CG2' HG22 ' B' ' 9' ' ' VAL . 79.2 t -73.79 -60.6 2.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.731 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.03 -25.44 21.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.73 -51.33 57.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.73 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.5 HD12 HG13 ' B' ' 9' ' ' VAL . 24.0 mt -77.18 -36.37 55.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.715 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.466 ' OE1' HG12 ' A' ' 9' ' ' VAL . 13.6 mt-10 -55.24 -24.24 26.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.33 -37.51 18.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.045 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.404 ' HA ' ' HG2' ' A' ' 18' ' ' GLN . 3.4 tt0 -84.58 -54.62 4.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.749 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -54.29 -24.3 18.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -79.36 -53.64 6.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.293 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.404 ' HG2' ' HA ' ' A' ' 15' ' ' GLU . 8.8 pt20 -58.15 -33.29 69.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.282 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.859 ' O ' HG23 ' A' ' 23' ' ' VAL . 55.9 mt -75.33 -51.7 12.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.014 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -50.71 -26.55 5.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.36 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -94.61 -25.21 16.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.237 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -89.01 -29.79 19.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.811 0.338 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 19' ' ' LEU . 9.3 t -78.38 -30.37 15.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.04 -22.07 65.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.369 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -105.29 -36.08 7.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.183 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.647 HD22 ' HA ' ' B' ' 27' ' ' ARG . 14.5 mt -57.1 -46.9 82.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.089 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.7 OUTLIER -90.32 46.14 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.073 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -90.09 -42.47 11.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.82 -65.44 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.006 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.82 -141.19 37.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.538 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 O-C-N 122.739 -0.271 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.525 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.231 0.096 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.567 ' N ' ' HB3' ' B' ' 4' ' ' ALA . 0.1 OUTLIER -65.91 -172.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 111.403 . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.431 ' O ' ' HB3' ' B' ' 6' ' ' LYS . 47.0 t -33.12 -88.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.163 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.498 ' O ' ' CG ' ' B' ' 7' ' ' LYS . 1.5 pm0 -57.73 -38.51 75.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.874 0.369 . . . . 0.0 111.411 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.567 ' HB3' ' N ' ' B' ' 1' ' ' GLU . . . -50.92 -28.82 10.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.852 0.358 . . . . 0.0 111.077 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.723 ' O ' HG23 ' B' ' 9' ' ' VAL . 11.2 mt -115.23 -39.09 3.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.446 0.641 . . . . 0.0 110.403 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.764 ' CD ' HD22 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -57.35 -31.94 66.24 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.268 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' B' ' 3' ' ' GLN . 0.8 OUTLIER -90.11 -43.66 10.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.664 -179.601 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.674 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -50.74 -26.67 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.268 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.723 HG23 ' O ' ' B' ' 5' ' ' LEU . 73.5 t -62.22 -46.03 97.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.145 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.505 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -50.74 -30.22 13.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.236 -179.664 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.23 -13.13 61.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.612 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.449 HD12 HD12 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -99.3 -47.49 5.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.894 0.378 . . . . 0.0 110.927 -179.798 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.433 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.79 -23.57 42.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.713 -179.361 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -55.86 -61.77 2.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.857 0.361 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.45 -38.01 59.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.754 ' OD1' HD12 ' A' ' 19' ' ' LEU . 30.5 t30 -59.35 -42.06 90.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -53.09 -40.6 64.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.38 -45.33 76.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.071 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.857 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.7 OUTLIER -63.15 -56.55 15.8 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.639 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -40.67 -30.22 0.11 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.604 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -82.73 -40.62 20.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.612 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.729 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.44 -31.65 16.73 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.14 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.857 HG23 ' O ' ' B' ' 19' ' ' LEU . 88.6 t -40.35 -61.53 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-O 120.748 0.309 . . . . 0.0 111.627 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.41 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 2.4 pt20 -58.2 -28.99 65.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' B' ' 22' ' ' LYS . . . -72.68 -28.23 62.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.225 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.729 HD11 ' HD3' ' B' ' 22' ' ' LYS . 38.1 mt -78.54 -59.71 2.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.073 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.647 ' HA ' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -51.64 -54.86 23.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.485 -179.749 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -70.8 -75.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.338 . . . . 0.0 110.836 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.01 134.44 43.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.14 -30.62 8.74 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 O-C-N 122.745 -0.268 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -89.96 104.95 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.684 0.278 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.3 t -85.41 -49.64 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.87 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.78 -20.94 54.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.064 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.54 12.61 14.05 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.347 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.516 HD21 ' HD3' ' B' ' 6' ' ' LYS . 67.3 mt -124.03 -42.39 2.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.807 0.337 . . . . 0.0 110.633 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -60.83 -75.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.427 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -19.64 61.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.585 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -63.67 -27.69 69.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.684 179.394 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.524 HG12 ' N ' ' A' ' 10' ' ' ALA . 1.1 t -69.92 -54.88 16.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.708 0.289 . . . . 0.0 110.381 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.524 ' N ' HG12 ' A' ' 9' ' ' VAL . . . -56.32 -27.29 55.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.049 0.452 . . . . 0.0 110.12 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.415 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 3.6 tp60 -63.9 -73.39 0.12 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.113 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.012 HD11 HG13 ' B' ' 9' ' ' VAL . 0.9 OUTLIER -34.18 -69.21 0.1 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.475 179.303 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.771 ' HG3' HD13 ' B' ' 12' ' ' LEU . 51.2 mt-10 -39.37 -35.37 0.26 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.77 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.657 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . . . -69.59 -55.9 8.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.462 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.657 ' OE1' ' HB3' ' A' ' 14' ' ' ALA . 0.4 OUTLIER -79.1 -50.19 11.43 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.478 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.572 ' N ' ' O ' ' A' ' 12' ' ' LEU . 60.0 t30 -46.53 -29.01 1.59 Allowed 'General case' 0 CA--C 1.528 0.102 0 CA-C-O 120.793 0.33 . . . . 0.0 111.118 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -90.17 -29.14 18.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.894 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -74.51 -41.04 61.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.247 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.885 ' O ' HG23 ' A' ' 23' ' ' VAL . 76.3 mt -77.68 -53.32 7.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.157 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -48.19 -28.68 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 111.049 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.91 -30.41 31.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.791 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -88.72 -24.68 22.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.781 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.916 HG21 ' HB3' ' B' ' 19' ' ' LEU . 13.0 t -79.48 -31.61 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -33.04 71.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.84 -40.74 18.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.737 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.559 HD22 ' HB3' ' B' ' 27' ' ' ARG . 63.0 mt -58.58 -56.02 27.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.447 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.1 OUTLIER -90.2 59.59 4.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.723 179.795 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -54.9 -31.93 60.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -24.44 63.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.013 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.17 -51.17 4.53 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 O-C-N 122.688 -0.301 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.687 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.23 0.05 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.693 ' N ' ' HB3' ' B' ' 4' ' ' ALA . 0.8 OUTLIER -90.3 -160.8 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.714 0.293 . . . . 0.0 111.416 . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 46.1 t -38.58 -81.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.149 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.423 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 24.4 mt-30 -58.16 -38.72 77.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.488 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.693 ' HB3' ' N ' ' B' ' 1' ' ' GLU . . . -56.18 -27.23 53.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.723 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.687 HD12 ' O ' ' B' ' 0' ' ' ACE . 3.0 mt -110.8 -48.35 3.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.569 0.7 . . . . 0.0 109.563 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.516 ' HD3' HD21 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -43.7 -36.45 2.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.654 179.058 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -81.23 -37.64 28.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.473 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.471 ' HE ' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -67.82 -32.03 72.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.736 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 1.012 HG13 HD11 ' A' ' 12' ' ' LEU . 29.4 t -59.34 -37.23 68.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-O 121.105 0.479 . . . . 0.0 109.752 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.569 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 27.3 mm-40 -56.27 -58.67 6.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.495 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -41.13 -30.1 0.14 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 1.007 HD12 HD12 ' A' ' 12' ' ' LEU . 1.3 mt -95.19 -79.21 0.44 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.334 0.588 . . . . 0.0 109.528 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.817 ' HD3' HD22 ' A' ' 12' ' ' LEU . 13.4 tptt -55.23 -35.12 64.58 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -49.87 -32.02 13.46 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 119.059 -1.056 . . . . 0.0 109.939 -177.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.469 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 12.8 tpt85 -90.61 -28.88 18.14 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.193 178.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.776 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 18.6 t30 -73.26 -51.88 16.03 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.101 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -48.34 -28.58 3.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.187 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.59 -49.33 16.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.06 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.916 ' HB3' HG21 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -61.95 -55.35 30.37 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.594 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.554 ' CE ' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -42.43 -29.19 0.26 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.59 179.61 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -86.4 -40.25 15.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.562 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.418 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -90.59 -5.56 55.75 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.823 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 19' ' ' LEU . 7.6 t -46.08 -60.88 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-O 120.805 0.336 . . . . 0.0 111.289 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.416 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 6.2 mt-30 -64.15 -38.75 92.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.12 -29.43 60.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.672 HD12 HG13 ' A' ' 23' ' ' VAL . 57.7 mt -77.35 -64.0 1.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.559 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -52.73 -26.26 13.57 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.273 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -76.18 -53.7 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.837 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.33 131.01 34.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -174.16 124.41 1.03 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.524 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.405 0 O-C-N 122.755 -0.262 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.03 166.82 13.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.954 0.407 . . . . 0.0 110.882 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.1 t -90.12 -49.87 13.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.215 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.65 -33.56 66.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.268 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -68.02 -28.14 67.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.692 HD13 ' HB2' ' B' ' 6' ' ' LYS . 46.6 mt -87.54 -46.18 9.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.983 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.517 ' HA ' HD13 ' B' ' 5' ' ' LEU . 3.8 mt-10 -57.11 -56.59 19.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -59.55 -28.75 67.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.108 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.668 ' HG2' HG11 ' B' ' 9' ' ' VAL . 22.5 tt0 -58.99 -25.61 63.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.983 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.773 HG13 HD11 ' B' ' 12' ' ' LEU . 58.8 t -81.19 -55.49 8.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.595 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.11 -25.68 23.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.553 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.46 -45.89 74.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.504 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.47 HD12 HD12 ' B' ' 12' ' ' LEU . 22.1 mt -84.17 -42.86 15.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.635 ' OE1' HG12 ' A' ' 9' ' ' VAL . 20.7 mt-10 -48.47 -28.37 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.065 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.26 -37.53 17.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -80.22 -56.86 3.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.703 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 12' ' ' LEU . 42.8 t-20 -50.54 -45.23 56.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.009 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -65.08 -41.57 94.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.784 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -28.04 56.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.258 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.85 ' O ' HG23 ' A' ' 23' ' ' VAL . 33.9 mt -98.39 -45.46 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -49.55 -27.92 4.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.185 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.0 -28.61 25.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.095 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.99 -30.82 19.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.853 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 19' ' ' LEU . 10.3 t -75.08 -35.09 33.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.36 -23.63 25.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.406 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -109.9 -37.86 5.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.181 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.727 HD22 ' HA ' ' B' ' 27' ' ' ARG . 18.2 mt -59.62 -45.85 90.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.103 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.626 ' HG2' HG12 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -86.83 57.31 4.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 0.0 110.966 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -85.86 -66.49 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.42 88.47 4.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -148.6 -49.01 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.537 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 O-C-N 122.701 -0.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.708 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.622 ' H ' ' HB3' ' B' ' 4' ' ' ALA . 1.4 mp0 -86.69 -167.94 2.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.707 0.289 . . . . 0.0 111.2 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.0 t -44.27 -90.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.429 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 34.3 mt-30 -55.43 -36.2 66.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.909 0.385 . . . . 0.0 111.05 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.622 ' HB3' ' H ' ' B' ' 1' ' ' GLU . . . -54.02 -29.76 44.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.144 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.868 HD23 ' HD3' ' B' ' 8' ' ' ARG . 11.9 mt -113.46 -40.73 3.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.794 0.806 . . . . 0.0 109.875 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.692 ' HB2' HD13 ' A' ' 5' ' ' LEU . 8.5 ttpt -57.23 -35.55 69.82 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.413 -1.267 . . . . 0.0 111.33 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.432 ' HD2' ' HG2' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -90.05 -16.94 28.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.613 -179.459 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.868 ' HD3' HD23 ' B' ' 5' ' ' LEU . 0.6 OUTLIER -88.43 -17.76 29.76 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.539 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.75 HG23 ' O ' ' B' ' 5' ' ' LEU . 84.5 t -63.02 -48.44 87.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.804 0.335 . . . . 0.0 110.804 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 7.3 pt20 -49.52 -33.49 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.03 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.72 -15.22 61.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.608 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.773 HD11 HG13 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -98.48 -38.6 9.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.722 0.296 . . . . 0.0 111.139 -179.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.431 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -90.1 -36.35 14.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.886 -179.194 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -51.2 -41.44 60.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 111.102 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.12 -45.17 9.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.634 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.688 ' OD1' HD12 ' A' ' 19' ' ' LEU . 33.2 t30 -55.41 -45.73 76.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -52.03 -35.07 45.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.794 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.14 -42.55 55.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.084 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.918 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.9 OUTLIER -64.18 -57.71 8.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.73 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -40.9 -30.21 0.12 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.681 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.0 -41.3 18.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.6 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.765 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.32 -20.71 22.58 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.194 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.918 HG23 ' O ' ' B' ' 19' ' ' LEU . 96.1 t -45.94 -58.12 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.83 0.348 . . . . 0.0 111.331 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -30.04 67.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.35 -32.56 70.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.765 HD11 ' HD3' ' B' ' 22' ' ' LYS . 22.0 mt -72.97 -60.52 2.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.985 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.727 ' HA ' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -53.44 -36.35 61.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.253 -179.818 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -60.9 -55.69 29.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.789 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -90.04 51.47 2.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 63.89 117.13 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.532 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 O-C-N 122.739 -0.271 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -89.91 161.39 15.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.094 0.473 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.644 HG12 ' HG2' ' A' ' 6' ' ' GLU . 60.7 t -47.73 -47.38 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.302 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.405 ' HA ' ' HB2' ' A' ' 6' ' ' GLU . . . -49.03 -27.84 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.51 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -66.76 -26.37 66.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.817 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.771 HD11 HG13 ' B' ' 2' ' ' VAL . 86.0 mt -105.12 -34.02 8.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.644 ' HG2' HG12 ' A' ' 2' ' ' VAL . 13.1 mm-40 -47.86 -29.56 3.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -82.11 -32.7 30.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.589 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.827 ' HG2' HG21 ' B' ' 9' ' ' VAL . 4.1 tt0 -53.8 -28.67 36.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.038 0.447 . . . . 0.0 110.302 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.762 HG13 HD11 ' B' ' 12' ' ' LEU . 85.1 t -83.16 -46.51 18.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.792 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.56 -31.84 71.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.146 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -63.58 1.09 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.722 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.564 HD12 HG13 ' B' ' 9' ' ' VAL . 70.9 mt -64.9 -42.27 94.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.879 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -44.02 -29.17 0.55 Allowed 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.914 0.388 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.21 -51.31 18.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.634 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.479 ' CG ' ' HA ' ' A' ' 12' ' ' LEU . 3.4 pt-20 -74.47 -47.21 34.78 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.777 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.446 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 54.6 t-20 -57.41 -20.89 32.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.766 0.317 . . . . 0.0 110.578 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -90.16 -48.56 7.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.99 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 12.8 pt20 -50.62 -26.81 5.8 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.541 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.905 ' O ' HG23 ' A' ' 23' ' ' VAL . 68.3 mt -85.08 -62.73 1.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.959 0.409 . . . . 0.0 110.104 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -30.36 1.83 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.473 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.78 -34.78 30.16 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.029 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.718 ' CD ' HD11 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -83.57 -24.48 31.53 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.057 0.456 . . . . 0.0 110.168 179.305 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 19' ' ' LEU . 57.8 t -63.85 -26.39 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.223 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.25 -21.95 61.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.366 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -108.02 -25.53 11.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.269 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.854 HD12 ' HA ' ' A' ' 23' ' ' VAL . 8.2 mt -52.86 -71.85 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.156 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -20.28 43.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.056 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -74.17 -69.27 0.46 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.83 0.347 . . . . 0.0 110.965 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.84 -67.83 0.81 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.62 -152.55 20.51 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 O-C-N 122.775 -0.25 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.868 ' O ' ' HB3' ' B' ' 4' ' ' ALA . . . . . . . . 0 C--O 1.231 0.129 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -90.29 -75.19 0.46 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.984 0.421 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.771 HG13 HD11 ' A' ' 5' ' ' LEU . 23.2 t -68.03 -22.91 28.3 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.623 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.9 -67.88 0.83 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.868 ' HB3' ' O ' ' B' ' 0' ' ' ACE . . . -48.82 -14.8 0.07 Allowed 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -178.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.563 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 2.8 mt -108.93 -28.11 9.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.801 0.81 . . . . 0.0 110.068 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.715 ' HD3' HD22 ' A' ' 5' ' ' LEU . 8.5 tptt -77.69 -41.93 36.34 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.292 -1.322 . . . . 0.0 111.15 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.26 -6.4 58.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.495 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.563 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -90.16 -25.51 20.63 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.675 0.274 . . . . 0.0 111.313 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.827 HG21 ' HG2' ' A' ' 8' ' ' GLU . 45.6 t -49.31 -36.53 9.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.108 0 CA-C-O 120.764 0.316 . . . . 0.0 110.772 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.447 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -56.28 -24.38 42.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.607 179.638 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.27 -28.71 64.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.417 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.762 HD11 HG13 ' A' ' 9' ' ' VAL . 0.8 OUTLIER -82.16 -33.61 29.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.671 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.521 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -90.38 -38.36 13.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.854 -179.588 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -59.44 -35.11 73.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.062 0.458 . . . . 0.0 110.496 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.54 -35.97 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.248 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.8 ' OD1' HD12 ' A' ' 19' ' ' LEU . 22.0 t30 -69.48 -52.93 21.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.525 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -47.38 -42.82 22.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.579 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.74 -45.3 92.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.443 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.83 ' O ' HG23 ' B' ' 23' ' ' VAL . 1.1 mt -56.98 -49.2 76.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 0.0 110.406 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -43.03 -29.92 0.39 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.075 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -81.97 -51.58 7.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.588 ' HG2' ' HA ' ' B' ' 19' ' ' LEU . 15.7 ptmt -70.11 -39.05 75.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.053 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.83 HG23 ' O ' ' B' ' 19' ' ' LEU . 43.1 t -30.28 -57.46 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.192 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.641 ' HA ' ' HD3' ' B' ' 27' ' ' ARG . 3.7 pt20 -59.21 -46.92 87.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.078 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.64 -31.38 66.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.809 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.872 ' CD1' HG13 ' A' ' 23' ' ' VAL . 3.1 mt -64.51 -48.05 76.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.719 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.641 ' HD3' ' HA ' ' B' ' 24' ' ' GLN . 2.1 ptt-85 -57.91 -24.44 57.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.083 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -88.83 -24.03 22.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.046 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.14 141.69 18.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.162 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.27 -37.18 3.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.424 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.38 0 O-C-N 122.77 -0.253 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -90.46 25.47 2.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.73 0.3 . . . . 0.0 111.524 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 65.9 t -43.06 -62.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.494 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.47 -45.86 84.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.055 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -28.34 16.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.738 HD23 ' OE1' ' A' ' 8' ' ' GLU . 22.5 mt -91.23 -31.48 16.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.526 ' OE2' HD11 ' B' ' 5' ' ' LEU . 6.0 mm-40 -58.2 -39.31 78.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.47 -27.01 24.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.642 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.738 ' OE1' HD23 ' A' ' 5' ' ' LEU . 58.1 tt0 -56.28 -27.75 56.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.995 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.769 ' CG2' HG22 ' B' ' 9' ' ' VAL . 40.5 t -74.63 -57.27 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.536 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.7 -25.46 64.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.752 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -66.98 -57.27 7.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.505 HD12 HD12 ' B' ' 12' ' ' LEU . 71.3 mt -62.17 -35.72 79.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.593 ' OE2' HG12 ' A' ' 9' ' ' VAL . 32.7 mt-10 -56.74 -24.66 51.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.809 0.338 . . . . 0.0 110.785 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.03 -37.37 14.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.716 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.04 -56.85 3.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.586 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' LEU . 48.9 t-20 -50.58 -28.22 8.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.991 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -88.25 -21.88 24.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -85.62 9.57 15.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.762 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.901 ' O ' HG23 ' A' ' 23' ' ' VAL . 63.7 mt -127.15 -50.69 1.43 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.856 0.36 . . . . 0.0 110.411 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -48.95 -27.9 3.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.04 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.37 -28.46 18.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.779 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.11 -26.12 31.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.746 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 19' ' ' LEU . 32.6 t -70.64 -30.55 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.213 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.37 -24.61 30.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.719 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -111.08 -39.21 4.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.238 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.46 HD22 ' HB3' ' B' ' 27' ' ' ARG . 78.4 mt -57.36 -33.45 67.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.173 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.887 ' HA ' HD22 ' B' ' 26' ' ' LEU . 5.1 pt-20 -90.17 50.81 1.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.24 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -63.66 -28.04 69.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.785 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -59.51 -29.84 68.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.4 -70.0 1.12 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.522 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 O-C-N 122.705 -0.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.812 ' O ' ' HB3' ' B' ' 4' ' ' ALA . . . . . . . . 0 C--O 1.23 0.074 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -90.18 -75.82 0.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.922 0.391 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.778 ' O ' ' HB2' ' B' ' 6' ' ' LYS . 20.0 t -69.65 -19.27 22.88 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.68 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.766 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -91.72 -66.46 0.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.053 0.454 . . . . 0.0 111.948 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.812 ' HB3' ' O ' ' B' ' 0' ' ' ACE . . . -48.08 -17.9 0.16 Allowed 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -178.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.699 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 2.9 mt -107.38 -41.68 5.02 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.795 0.807 . . . . 0.0 109.894 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.778 ' HB2' ' O ' ' B' ' 2' ' ' VAL . 5.1 tppt? -50.89 -53.42 32.71 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.403 -1.271 . . . . 0.0 111.267 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -26.14 62.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.652 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.699 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -71.72 -29.26 64.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.813 0.339 . . . . 0.0 110.923 -179.789 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.769 HG22 ' CG2' ' A' ' 9' ' ' VAL . 88.8 t -67.82 -32.43 56.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.572 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 84.6 mt-30 -59.3 -34.18 71.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.676 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.0 -15.7 59.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.782 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.505 HD12 HD12 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -99.11 -42.55 7.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.851 0.358 . . . . 0.0 110.965 -179.746 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.439 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -85.51 -25.15 27.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.892 -179.227 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -53.38 -48.48 68.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.874 0.368 . . . . 0.0 110.908 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 11.7 tpp180 -83.87 -43.64 15.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.474 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.587 ' OD1' HD12 ' A' ' 19' ' ' LEU . 45.9 t30 -56.55 -52.19 65.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.093 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -52.35 -36.69 54.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.68 -50.7 56.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.704 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.859 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.6 OUTLIER -65.12 -52.91 52.58 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.537 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -39.9 -30.63 0.09 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.916 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -44.97 20.52 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.085 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.629 ' CG ' ' HA ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -81.93 -27.64 33.22 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.224 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.859 HG23 ' O ' ' B' ' 19' ' ' LEU . 93.7 t -47.13 -59.7 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.291 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -56.64 -37.55 70.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.66 -41.26 90.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.8 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.887 HD22 ' HA ' ' A' ' 27' ' ' GLU . 93.8 mt -60.33 -64.24 1.02 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.747 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.46 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -58.62 -22.29 55.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.248 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -31.88 66.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -59.19 121.15 10.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.32 -54.73 0.48 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 O-C-N 122.756 -0.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.482 ' OE1' ' HB3' ' A' ' 3' ' ' ALA . 1.4 tt0 -90.07 132.14 35.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 110.822 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.88 -48.03 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.109 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.482 ' HB3' ' OE1' ' A' ' 1' ' ' GLU . . . -59.76 -32.47 70.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.189 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -58.84 -42.8 90.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.644 HD13 ' HB2' ' B' ' 6' ' ' LYS . 93.2 mt -71.92 -33.03 67.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.043 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -57.45 -49.05 77.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -26.87 42.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.004 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.537 ' HG2' HG11 ' B' ' 9' ' ' VAL . 34.6 tt0 -55.66 -28.57 56.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.899 0.38 . . . . 0.0 110.641 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.798 ' CG2' HG22 ' B' ' 9' ' ' VAL . 65.0 t -75.13 -58.47 4.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.521 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.46 -29.71 50.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -61.73 -53.91 49.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.843 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.458 HD13 ' HB3' ' B' ' 13' ' ' LYS . 47.1 mt -71.02 -29.44 65.37 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.974 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -62.61 -27.64 69.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.667 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.23 -30.86 18.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.82 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.1 -56.92 3.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.694 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' LEU . 45.1 t-20 -50.72 -28.13 8.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -89.29 -35.45 16.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.68 -24.36 65.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.526 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.864 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.7 mt -91.47 -46.98 7.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.654 0.264 . . . . 0.0 111.091 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' HG3' ' NH2' ' B' ' 15' ' ' ARG . 0.9 OUTLIER -46.24 -42.12 13.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.865 0.364 . . . . 0.0 111.275 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.76 -25.82 62.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -89.79 -28.26 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.921 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 19' ' ' LEU . 9.0 t -78.76 -31.62 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.48 -28.36 63.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.279 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -99.07 -37.77 9.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.0 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.615 HD22 ' HB3' ' B' ' 27' ' ' ARG . 20.1 mt -61.25 -41.67 97.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.954 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.572 ' HA ' HD22 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -84.31 -17.17 40.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.286 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.1 t60 -53.62 -64.76 0.72 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.797 0.332 . . . . 0.0 111.11 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.43 96.13 9.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.35 -78.69 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.487 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 O-C-N 122.789 -0.242 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.625 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.72 ' H ' ' HB3' ' B' ' 4' ' ' ALA . 2.9 mt-10 -90.11 -177.07 5.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.722 0.296 . . . . 0.0 111.091 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.536 ' HA ' HD12 ' A' ' 5' ' ' LEU . 19.7 t -43.63 -73.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.239 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -61.75 -38.12 86.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.375 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.72 ' HB3' ' H ' ' B' ' 1' ' ' GLU . . . -64.05 -21.48 66.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.939 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.625 HD12 ' O ' ' B' ' 0' ' ' ACE . 9.3 mt -111.75 -48.93 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.707 0.765 . . . . 0.0 109.786 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.644 ' HB2' HD13 ' A' ' 5' ' ' LEU . 1.8 tppp? -42.7 -36.97 1.58 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.53 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.68 -31.32 36.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.241 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.498 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -71.35 -26.01 62.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.337 . . . . 0.0 111.052 -179.835 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.798 HG22 ' CG2' ' A' ' 9' ' ' VAL . 70.0 t -68.02 -40.79 83.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.73 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.556 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 48.8 mt-30 -55.74 -31.83 62.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.57 -17.47 64.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.637 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.672 HD11 HG13 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -95.17 -46.8 6.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.869 0.366 . . . . 0.0 110.864 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.458 ' HB3' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.74 -18.47 51.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.627 -179.613 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -57.41 -53.75 54.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.895 0.379 . . . . 0.0 111.029 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.689 ' HD3' HD11 ' B' ' 19' ' ' LEU . 0.0 OUTLIER -84.28 -33.13 24.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.452 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 62.1 t-20 -61.77 -50.5 72.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 110.743 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -50.16 -31.84 14.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.009 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.43 -54.17 11.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.71 ' HB3' HG21 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -66.21 -52.66 45.78 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.501 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.19 -30.17 1.12 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.15 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -81.81 -43.85 17.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.72 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.436 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.33 0.55 57.2 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.574 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.691 HG23 ' O ' ' B' ' 19' ' ' LEU . 35.5 t -49.06 -61.75 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.937 0.398 . . . . 0.0 110.872 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -62.11 -33.36 74.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.837 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.14 -29.69 70.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.759 ' CD1' HG13 ' A' ' 23' ' ' VAL . 94.8 mt -74.66 -50.1 18.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.615 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -74.45 -30.12 61.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.423 ' CD2' ' HG3' ' B' ' 27' ' ' ARG . 50.2 m170 -90.25 18.42 6.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.374 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.18 -30.58 68.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.859 0.362 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.62 125.67 2.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 O-C-N 122.755 -0.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -90.15 146.27 24.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.962 0.41 . . . . 0.0 110.711 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.6 t -53.8 -51.93 39.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.266 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.97 -37.91 75.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.06 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -59.16 -36.46 75.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.814 HD22 ' HD3' ' B' ' 6' ' ' LYS . 6.0 mt -64.7 -45.98 84.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.755 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.571 ' HG2' HD13 ' B' ' 5' ' ' LEU . 7.6 mt-10 -63.15 -41.27 99.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.767 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -72.55 -31.49 65.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.673 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.529 ' HG2' HG11 ' B' ' 9' ' ' VAL . 28.8 tt0 -58.22 -24.8 60.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.941 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.466 HG22 HG22 ' B' ' 9' ' ' VAL . 87.6 t -75.08 -59.78 2.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.708 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -24.32 30.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -67.9 -56.55 8.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.852 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.497 HD12 HG13 ' B' ' 9' ' ' VAL . 47.5 mt -70.46 -30.87 67.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.961 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -59.47 -27.17 65.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.721 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.14 -37.1 14.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -80.76 -55.16 5.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.429 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 39.9 t30 -50.33 -33.99 22.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.045 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -78.1 -41.81 34.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -56.48 -34.89 67.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.31 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.912 HD12 ' OD1' ' B' ' 16' ' ' ASN . 97.4 mt -84.96 -42.56 14.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.943 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -51.84 -26.53 10.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.107 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -94.65 -26.5 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.024 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -86.52 -25.48 25.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.989 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 19' ' ' LEU . 11.1 t -85.99 -35.3 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.33 -31.29 67.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.993 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -78.68 -39.83 35.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.441 HD13 ' HB2' ' B' ' 26' ' ' LEU . 31.5 mt -65.98 -69.14 0.32 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.485 ' HB3' HD13 ' B' ' 26' ' ' LEU . 1.4 pt-20 -90.06 52.29 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -57.63 -23.26 50.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.144 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -56.25 -53.11 61.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.832 0.348 . . . . 0.0 111.049 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.06 146.59 20.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.427 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 O-C-N 122.727 -0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.645 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.23 0.072 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.703 ' N ' ' HB3' ' B' ' 4' ' ' ALA . 21.0 mt-10 -84.5 -160.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.617 0.246 . . . . 0.0 111.292 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.722 ' HA ' HD12 ' A' ' 5' ' ' LEU . 60.4 t -39.64 -85.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.878 -179.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.442 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 0.5 OUTLIER -57.65 -39.6 77.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.835 0.35 . . . . 0.0 111.252 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.703 ' HB3' ' N ' ' B' ' 1' ' ' GLU . . . -52.03 -28.37 16.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.563 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.645 HD12 ' O ' ' B' ' 0' ' ' ACE . 10.1 mt -112.23 -49.05 2.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 109.43 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.814 ' HD3' HD22 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -45.05 -34.38 2.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.803 179.062 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -76.1 -46.22 29.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.464 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -55.46 -24.06 28.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.296 -179.844 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.529 HG11 ' HG2' ' A' ' 8' ' ' GLU . 57.7 t -62.35 -45.52 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.17 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.624 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 1.4 pp0? -52.37 -26.98 13.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.277 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.15 -11.62 60.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.758 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.471 HD12 HD12 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -99.59 -49.09 4.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.38 . . . . 0.0 110.987 -179.798 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.444 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -78.53 -19.13 53.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.719 -179.336 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.624 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -55.15 -54.94 36.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 111.152 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 tpt85 -82.19 -39.39 23.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.912 ' OD1' HD12 ' A' ' 19' ' ' LEU . 38.8 t30 -56.71 -48.88 76.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -54.84 -31.57 59.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.968 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.04 -54.84 8.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.993 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.952 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.8 OUTLIER -59.28 -53.67 55.57 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.531 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.655 ' HG3' HD11 ' A' ' 19' ' ' LEU . 3.1 ttmt -41.97 -30.38 0.27 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.468 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -85.23 -40.04 17.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.989 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.517 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.3 -18.3 25.84 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.767 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.952 HG23 ' O ' ' B' ' 19' ' ' LEU . 92.7 t -43.64 -58.99 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 120.785 0.326 . . . . 0.0 111.425 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.12 -28.72 69.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.917 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.41 -36.14 73.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.589 HD12 HG13 ' A' ' 23' ' ' VAL . 83.2 mt -67.01 -60.56 2.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.779 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -36.91 65.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.241 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -65.38 -41.6 93.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.818 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -31.19 71.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.62 59.71 4.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 O-C-N 122.706 -0.29 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.29 123.29 16.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.68 -66.23 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.475 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.94 -52.87 47.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.438 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -52.71 -36.87 58.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.103 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.803 HD13 ' HB2' ' B' ' 6' ' ' LYS . 31.9 mt -74.71 -31.33 61.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.517 ' HG2' HD13 ' B' ' 5' ' ' LEU . 26.5 mt-10 -78.25 -35.16 48.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.771 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -29.43 47.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.801 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.588 ' HG2' HG11 ' B' ' 9' ' ' VAL . 52.5 tt0 -58.49 -25.78 62.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.825 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.713 HG22 HG22 ' B' ' 9' ' ' VAL . 74.0 t -73.55 -60.75 2.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.579 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.37 -26.21 11.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -68.92 -47.59 65.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.742 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.549 HD12 HG13 ' B' ' 9' ' ' VAL . 19.2 mt -83.23 -32.74 26.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -59.99 -24.45 64.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.958 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.03 -35.61 15.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.041 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HG3' HD11 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -86.17 -55.34 3.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.416 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 48.4 t30 -50.42 -29.26 9.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -86.81 -44.6 11.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -63.7 -19.81 65.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.413 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.912 ' O ' HG23 ' A' ' 23' ' ' VAL . 35.3 mt -93.65 -55.48 3.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.798 0.332 . . . . 0.0 111.088 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -46.48 -28.88 1.52 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.402 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.53 -29.78 19.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.96 -35.84 25.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 19' ' ' LEU . 9.5 t -59.74 -30.18 44.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.012 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.44 -30.5 71.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -87.36 -34.64 18.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.791 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.652 HD22 ' HB3' ' B' ' 27' ' ' ARG . 96.3 mt -58.18 -66.32 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' HB3' HD13 ' B' ' 26' ' ' LEU . 0.1 OUTLIER -90.05 51.85 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.783 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -59.01 -44.82 91.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.014 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.41 -46.33 55.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.89 -80.89 0.67 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 O-C-N 122.707 -0.29 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.779 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.534 ' N ' ' HB3' ' B' ' 4' ' ' ALA . 1.5 mp0 -90.08 -166.71 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' B' ' 6' ' ' LYS . 98.2 t -46.54 -91.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.306 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.513 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 2.9 tt0 -48.19 -37.63 16.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.047 0.451 . . . . 0.0 110.995 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.534 ' HB3' ' N ' ' B' ' 1' ' ' GLU . . . -55.79 -35.64 66.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.894 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.779 HD12 ' O ' ' B' ' 0' ' ' ACE . 4.6 mt -111.52 -8.91 14.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.296 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.803 ' HB2' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -81.57 -34.24 31.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.82 -179.246 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -89.23 -19.22 25.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.29 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.559 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -74.73 -26.49 59.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.707 0.289 . . . . 0.0 111.089 -179.823 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.713 HG22 HG22 ' A' ' 9' ' ' VAL . 57.3 t -63.18 -45.85 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.229 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.662 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 2.6 pt20 -52.4 -25.53 10.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.148 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.92 -12.39 60.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.7 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.407 HD11 HG13 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -98.59 -49.56 4.58 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.875 0.369 . . . . 0.0 111.127 -179.806 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.413 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.11 -19.49 56.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.642 -179.42 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -55.61 -56.74 16.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.867 0.365 . . . . 0.0 111.182 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -82.06 -41.4 20.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.051 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.425 ' OD1' HD12 ' A' ' 19' ' ' LEU . 34.5 t-20 -54.22 -42.93 70.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -53.67 -36.5 62.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.932 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.43 -46.89 45.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.895 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.7 OUTLIER -65.86 -55.3 17.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.578 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -43.03 -29.92 0.38 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.407 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -81.75 -42.02 20.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.569 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -19.37 24.21 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.895 HG23 ' O ' ' B' ' 19' ' ' LEU . 62.1 t -45.39 -60.62 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.748 0.308 . . . . 0.0 111.3 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.438 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 9.0 mt-30 -63.17 -34.48 77.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.652 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.79 97.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.477 HD12 HG13 ' A' ' 23' ' ' VAL . 46.4 mt -61.44 -62.98 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.652 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -51.21 -26.22 6.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.445 -179.846 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.25 -61.59 1.95 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.358 . . . . 0.0 110.955 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.29 109.93 14.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.9 178.74 23.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.549 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 0 O-C-N 122.79 -0.241 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 2' ' ' VAL . 2.8 pm0 -90.19 -7.66 53.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.518 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 1' ' ' GLU . 52.4 t -29.93 -62.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.969 179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.45 -48.56 81.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.042 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -52.04 -28.44 17.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.608 ' CD1' HG12 ' B' ' 2' ' ' VAL . 39.7 mt -89.84 -38.41 13.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.426 ' HG2' HD13 ' B' ' 5' ' ' LEU . 3.2 mt-10 -65.27 -51.57 59.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.805 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -59.53 -27.99 66.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.765 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.663 ' HG2' HG11 ' B' ' 9' ' ' VAL . 51.5 tt0 -58.06 -26.47 62.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.695 HG13 HD11 ' B' ' 12' ' ' LEU . 99.2 t -77.27 -59.07 3.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.697 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.5 -25.5 16.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.964 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.28 -48.6 77.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.665 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.445 HD13 ' N ' ' B' ' 13' ' ' LYS . 17.2 mt -83.5 -41.09 18.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.811 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -46.38 -27.56 1.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.177 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.92 -49.3 12.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.393 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.429 ' CG ' ' HA ' ' A' ' 12' ' ' LEU . 2.8 pt-20 -78.43 -46.24 20.29 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.55 -179.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.427 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 41.6 t30 -55.27 -31.77 61.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.851 0.357 . . . . 0.0 110.971 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -89.27 -36.65 15.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.696 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -64.14 -40.75 96.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.897 ' O ' HG23 ' A' ' 23' ' ' VAL . 37.5 mt -72.31 -45.66 59.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -47.36 -29.03 2.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.86 0.362 . . . . 0.0 111.199 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -95.73 -29.03 14.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -80.03 -25.79 40.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 19' ' ' LEU . 20.1 t -77.2 -30.54 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.72 -30.92 69.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.022 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -90.38 -30.54 17.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.454 HD22 ' CB ' ' B' ' 27' ' ' ARG . 25.0 mt -66.36 -46.54 76.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.563 ' HB3' HD22 ' B' ' 26' ' ' LEU . 1.3 pp20? -90.34 43.62 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.161 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -90.07 -42.98 10.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -86.52 56.09 3.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.48 -172.37 14.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 O-C-N 122.807 -0.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.703 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.231 0.102 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.714 ' N ' ' HB3' ' B' ' 4' ' ' ALA . 0.5 OUTLIER -87.66 -160.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.662 0.268 . . . . 0.0 111.125 . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.608 HG12 ' CD1' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -37.47 -86.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.059 -179.538 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.445 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 0.1 OUTLIER -56.19 -40.25 73.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.776 0.322 . . . . 0.0 111.342 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.714 ' HB3' ' N ' ' B' ' 1' ' ' GLU . . . -51.41 -29.56 16.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.756 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.703 HD12 ' O ' ' B' ' 0' ' ' ACE . 8.1 mt -112.09 -44.32 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.675 0.75 . . . . 0.0 109.923 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.445 ' HB3' ' HA ' ' B' ' 3' ' ' GLN . 13.0 ttpp -49.9 -29.4 8.18 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.296 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -89.91 -21.71 22.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.598 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.496 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -74.82 -24.43 58.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.761 0.315 . . . . 0.0 111.112 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.663 HG11 ' HG2' ' A' ' 8' ' ' GLU . 60.9 t -57.49 -49.0 81.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.218 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.57 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 3.7 pt20 -50.73 -27.34 6.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.233 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.44 -14.24 62.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.725 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.695 HD11 HG13 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -99.19 -45.96 5.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.839 0.352 . . . . 0.0 111.027 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.445 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.94 -17.24 53.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.72 -179.413 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -61.8 -59.35 5.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 111.05 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.22 -29.33 34.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.439 ' OD1' HD12 ' A' ' 19' ' ' LEU . 24.3 t30 -65.61 -46.99 77.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.949 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -54.57 -32.53 58.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.59 -45.39 75.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.883 ' O ' HG23 ' B' ' 23' ' ' VAL . 1.0 OUTLIER -65.57 -50.81 63.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.85 0.357 . . . . 0.0 110.097 179.573 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.79 -29.65 0.82 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.381 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -79.19 -41.68 27.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.672 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.601 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.25 -24.54 20.91 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -179.336 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.883 HG23 ' O ' ' B' ' 19' ' ' LEU . 54.1 t -42.74 -61.08 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.734 0.302 . . . . 0.0 111.434 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.552 ' HA ' ' HD3' ' B' ' 27' ' ' ARG . 8.1 pt20 -64.94 -15.46 62.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.276 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' B' ' 22' ' ' LYS . . . -82.93 -25.26 32.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.922 0.392 . . . . 0.0 110.59 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.739 ' CD1' HG13 ' A' ' 23' ' ' VAL . 56.4 mt -79.08 -52.05 8.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.291 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.552 ' HD3' ' HA ' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -49.16 -29.18 5.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.31 -179.457 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -81.4 -63.77 1.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.95 124.84 24.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.84 -122.65 3.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.559 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 O-C-N 122.834 -0.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -78.31 99.06 6.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.4 t -90.03 -51.98 11.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.246 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.7 -35.66 70.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.281 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.34 -32.96 74.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.472 HD13 ' HB2' ' B' ' 6' ' ' LYS . 53.6 mt -87.69 -30.6 20.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -58.54 -55.99 27.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -25.25 66.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.091 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.49 ' HG2' HG11 ' B' ' 9' ' ' VAL . 61.7 tt0 -56.77 -28.64 61.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.815 0.34 . . . . 0.0 110.715 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.713 HG13 HD11 ' B' ' 12' ' ' LEU . 72.3 t -79.75 -55.84 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.406 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.77 -27.82 31.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.51 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -63.34 -49.27 74.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.61 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.478 HD12 HG13 ' B' ' 9' ' ' VAL . 18.8 mt -82.9 -34.72 26.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -56.67 -25.08 52.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.959 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.1 -38.26 13.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.007 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.67 -55.08 4.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' LEU . 53.9 t30 -52.89 -29.67 29.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.235 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -80.95 -43.88 19.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -60.83 -27.58 68.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.174 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.902 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.3 mt -88.94 -54.83 3.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.121 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.5 -28.09 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.494 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.72 -27.78 19.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.186 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -86.51 -33.05 20.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.082 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 19' ' ' LEU . 9.0 t -66.83 -29.89 47.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.18 -16.21 61.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.55 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -112.54 -29.1 7.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.661 0.267 . . . . 0.0 111.242 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 26' ' ' LEU . 36.4 mt -62.46 -76.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.11 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.65 ' HB3' HD13 ' B' ' 26' ' ' LEU . 2.3 pp20? -63.28 -33.68 76.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.106 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -69.41 -64.06 0.95 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -85.29 123.69 31.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -138.52 -115.13 1.3 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.519 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 O-C-N 122.726 -0.279 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.66 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.681 ' N ' ' HB3' ' B' ' 4' ' ' ALA . 12.7 mt-10 -87.79 -162.28 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 0.0 111.213 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.46 HG23 ' H ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -38.72 -87.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.043 -179.568 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.46 ' H ' HG23 ' B' ' 2' ' ' VAL . 10.0 mt-30 -55.41 -37.99 68.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.976 0.417 . . . . 0.0 111.385 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.681 ' HB3' ' N ' ' B' ' 1' ' ' GLU . . . -55.18 -28.87 56.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.607 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.686 HD23 ' HG2' ' B' ' 8' ' ' ARG . 8.9 mt -112.35 -45.73 3.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.65 0.738 . . . . 0.0 109.809 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.472 ' HB2' HD13 ' A' ' 5' ' ' LEU . 1.1 ttpp -45.68 -36.63 5.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.625 -1.171 . . . . 0.0 111.125 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.437 ' HD3' ' O ' ' B' ' 3' ' ' GLN . 0.1 OUTLIER -84.3 -39.23 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.844 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.686 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -58.72 -25.12 62.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.658 HG22 HG22 ' A' ' 9' ' ' VAL . 58.9 t -65.98 -44.69 92.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.598 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 1.4 pp0? -53.05 -25.17 11.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.104 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.39 -5.31 44.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.742 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.713 HD11 HG13 ' A' ' 9' ' ' VAL . 0.7 OUTLIER -108.04 -48.25 3.41 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.917 0.389 . . . . 0.0 111.109 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.411 ' HB3' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -78.27 -19.11 54.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.686 -179.426 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -57.11 -48.6 78.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.824 0.345 . . . . 0.0 111.335 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -38.59 14.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.41 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 49.3 t-20 -56.67 -41.76 77.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.173 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -51.52 -37.53 49.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.059 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.81 -47.65 37.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.043 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.763 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.7 OUTLIER -64.33 -53.66 45.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.955 0.407 . . . . 0.0 110.14 179.737 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -44.89 -27.29 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.472 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.07 -43.33 11.77 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.275 -0.421 . . . . 0.0 112.007 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.688 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.11 -33.85 16.11 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.8 HG22 HG22 ' A' ' 23' ' ' VAL . 53.4 t -38.62 -63.67 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -179.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -55.26 -29.38 57.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.12 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' B' ' 22' ' ' LYS . . . -72.14 -38.77 69.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.085 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.688 HD11 ' HD3' ' B' ' 22' ' ' LYS . 28.5 mt -67.43 -39.88 85.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -82.42 0.7 40.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.465 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.06 -35.59 15.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.853 0.358 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -76.56 -46.56 25.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -94.17 44.3 2.33 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.373 0 O-C-N 122.736 -0.273 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.38 116.43 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.788 0.328 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.6 t -83.07 -50.98 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.76 -36.83 70.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.074 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -59.1 -49.78 76.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.761 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 1.049 HD12 HG12 ' B' ' 2' ' ' VAL . 20.4 mt -73.8 -27.57 61.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.733 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -54.2 -44.25 71.43 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.07 -29.15 70.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.713 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.575 ' HG2' HG21 ' B' ' 9' ' ' VAL . 25.0 tt0 -58.19 -27.3 63.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.494 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.777 HG13 HD11 ' B' ' 12' ' ' LEU . 99.1 t -84.79 -48.59 16.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.155 179.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.62 -27.26 64.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.396 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -58.74 -63.56 1.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.579 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.507 HD13 ' N ' ' B' ' 13' ' ' LYS . 53.3 mt -66.96 -39.73 87.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.639 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -48.55 -28.36 3.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.869 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.24 -42.22 16.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.713 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -76.7 -57.45 3.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.525 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 12' ' ' LEU . 59.0 t-20 -49.39 -28.31 4.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.023 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -73.8 -33.29 64.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.484 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -63.21 -28.69 70.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.99 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.775 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.1 mt -92.34 -56.53 3.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -46.66 -31.41 2.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -70.74 -36.17 73.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -88.26 -27.35 21.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.445 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 19' ' ' LEU . 11.6 t -80.68 -51.18 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.465 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.23 -39.91 88.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.555 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -70.58 -43.81 68.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.585 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.733 HD13 ' HB2' ' B' ' 26' ' ' LEU . 11.7 mt -54.99 -69.5 0.13 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.208 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.714 ' HG2' HD13 ' B' ' 26' ' ' LEU . 0.4 OUTLIER -90.09 52.87 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.819 -179.605 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -89.95 -5.31 56.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.517 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -47.93 -36.1 11.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.787 0.327 . . . . 0.0 111.291 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 62.94 122.22 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.563 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 O-C-N 122.674 -0.309 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.61 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.654 ' N ' ' HB3' ' B' ' 4' ' ' ALA . 6.7 pt-20 -90.22 -171.9 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 111.249 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 1.049 HG12 HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -40.08 -82.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.003 -179.702 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.519 ' H ' HG23 ' B' ' 2' ' ' VAL . 17.5 tt0 -53.82 -25.09 17.81 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.547 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.654 ' HB3' ' N ' ' B' ' 1' ' ' GLU . . . -76.18 -24.69 54.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.446 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.61 HD12 ' O ' ' B' ' 0' ' ' ACE . 4.8 mt -110.39 -44.94 3.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.718 0.771 . . . . 0.0 109.68 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' B' ' 2' ' ' VAL . 0.1 OUTLIER -47.48 -45.07 25.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.471 -1.24 . . . . 0.0 111.37 179.337 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -6.51 58.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.545 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.503 ' HE ' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -89.4 -24.92 21.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.782 0.325 . . . . 0.0 111.251 -179.862 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.575 HG21 ' HG2' ' A' ' 8' ' ' GLU . 69.1 t -53.45 -46.59 59.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.61 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 12.8 pt20 -54.06 -24.33 16.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.049 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' B' ' 8' ' ' ARG . . . -73.98 -22.32 59.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.543 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.777 HD11 HG13 ' A' ' 9' ' ' VAL . 1.1 mt -89.37 -39.42 13.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.892 0.377 . . . . 0.0 110.853 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.526 ' HA ' ' HB3' ' B' ' 16' ' ' ASN . 0.0 OUTLIER -85.77 -21.08 28.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.526 -179.597 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -53.8 -46.34 71.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.015 0.436 . . . . 0.0 110.514 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.761 ' HD2' HD21 ' B' ' 19' ' ' LEU . 0.0 OUTLIER -88.35 -54.75 4.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.777 178.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.526 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 45.7 t30 -38.9 -33.51 0.12 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.655 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -67.67 -66.8 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.961 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.49 -54.38 37.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.068 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.945 ' O ' HG23 ' B' ' 23' ' ' VAL . 10.9 mt -48.67 -51.12 30.08 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.704 0.288 . . . . 0.0 110.634 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.597 ' CD ' HD11 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -41.57 -32.7 0.38 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.313 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -87.63 -41.12 13.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.139 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.505 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.55 -4.93 56.54 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.567 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.945 HG23 ' O ' ' B' ' 19' ' ' LEU . 59.1 t -49.15 -52.42 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.714 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.419 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 3.5 pt20 -69.69 -29.23 66.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.702 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.9 -32.95 74.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.774 ' CD1' HG13 ' A' ' 23' ' ' VAL . 19.1 mt -67.91 -55.01 14.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.5 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -64.14 -26.54 68.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.427 -179.651 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -90.39 14.85 11.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.46 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.06 -67.22 0.75 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.83 0.347 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.2 -175.08 2.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.54 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 O-C-N 122.745 -0.268 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.56 123.06 24.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.912 0.387 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.5 t -85.46 -57.56 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.211 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.41 -34.08 60.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.174 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -60.41 -41.63 94.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.796 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.66 HD13 ' HB2' ' B' ' 6' ' ' LYS . 40.4 mt -76.95 -33.54 57.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.66 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -58.81 -33.87 70.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.605 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -80.51 -27.7 37.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.505 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.571 ' HG2' HG11 ' B' ' 9' ' ' VAL . 60.3 tt0 -55.81 -28.32 55.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.662 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.578 HG13 HD11 ' B' ' 12' ' ' LEU . 96.0 t -75.64 -55.34 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.557 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.07 -26.83 61.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.629 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -64.94 -57.67 8.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.655 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.603 HD12 HG13 ' B' ' 9' ' ' VAL . 42.2 mt -68.86 -31.41 70.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.793 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -58.62 -28.25 65.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.595 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.16 -39.24 12.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.68 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -77.46 -57.02 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.667 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 12' ' ' LEU . 44.5 t30 -50.65 -32.47 19.2 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -83.31 -28.55 28.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -74.67 -26.37 59.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.164 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.89 ' O ' HG23 ' A' ' 23' ' ' VAL . 48.7 mt -95.77 -51.68 4.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.113 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -48.43 -28.88 3.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 111.074 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -28.4 21.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.49 -38.27 20.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.879 0.371 . . . . 0.0 110.833 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 19' ' ' LEU . 5.4 t -63.52 -31.15 51.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.724 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.46 -13.04 61.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.202 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.449 ' HA ' ' HG2' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -116.65 -2.92 11.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.322 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.0 mt -97.54 -52.95 3.6 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 120.677 0.275 . . . . 0.0 111.58 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.541 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.15 -36.37 14.86 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.139 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -78.34 -91.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.081 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' HA ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -90.09 172.66 8.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.784 0.326 . . . . 0.0 110.731 179.764 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 178.01 69.32 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.507 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 O-C-N 122.732 -0.275 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.605 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.23 0.068 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.711 ' N ' ' HB3' ' B' ' 4' ' ' ALA . 4.8 pt-20 -84.62 -170.31 3.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.722 0.296 . . . . 0.0 111.273 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.468 HG23 ' H ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -33.02 -80.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.898 -179.717 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.468 ' H ' HG23 ' B' ' 2' ' ' VAL . 16.9 pt20 -58.94 -46.55 87.73 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.9 0.381 . . . . 0.0 111.154 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.711 ' HB3' ' N ' ' B' ' 1' ' ' GLU . . . -47.88 -26.89 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.846 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.605 HD12 ' O ' ' B' ' 0' ' ' ACE . 10.4 mt -112.39 -46.97 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.659 0.742 . . . . 0.0 109.684 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.66 ' HB2' HD13 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -49.03 -30.98 6.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.508 -1.223 . . . . 0.0 110.879 179.301 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.411 ' HD2' ' O ' ' B' ' 3' ' ' GLN . 0.6 OUTLIER -81.28 -27.08 35.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.196 -179.895 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.422 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -76.07 -25.57 55.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.757 0.313 . . . . 0.0 110.892 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.603 HG13 HD12 ' A' ' 12' ' ' LEU . 59.7 t -62.16 -30.04 47.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.581 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 3.0 pp0? -60.21 -21.06 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.985 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.25 6.37 19.8 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.783 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.578 HD11 HG13 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -121.52 -39.94 2.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.772 0.32 . . . . 0.0 110.877 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.401 ' HA ' ' HB3' ' B' ' 16' ' ' ASN . 0.0 OUTLIER -88.87 -21.4 23.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.444 -179.775 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -53.63 -58.53 6.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.878 0.371 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -41.53 59.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.401 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 58.4 t-20 -56.89 -49.59 75.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.023 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -48.5 -39.37 22.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.081 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.43 -48.85 66.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.939 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.6 OUTLIER -67.21 -52.77 37.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 109.982 179.72 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -42.05 -30.5 0.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.62 -39.79 36.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.315 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.564 ' HG2' ' HA ' ' B' ' 19' ' ' LEU . 13.6 ptmt -88.19 -41.22 13.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.944 -179.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.939 HG23 ' O ' ' B' ' 19' ' ' LEU . 39.8 t -31.29 -56.3 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -60.01 -46.02 90.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' B' ' 22' ' ' LYS . . . -58.83 -38.81 79.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.541 HD22 ' HB3' ' A' ' 27' ' ' GLU . 23.7 mt -66.59 -58.32 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.603 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -60.39 -47.65 85.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -60.26 -26.59 66.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -55.73 108.33 0.43 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.043 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 162.87 42.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 O-C-N 122.686 -0.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.045 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -82.84 125.92 31.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.486 HG13 ' OE1' ' B' ' 1' ' ' GLU . 21.4 t -67.11 -51.2 56.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.29 -37.44 77.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -59.43 -35.55 74.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.509 HD22 ' HA ' ' B' ' 6' ' ' LYS . 15.8 mt -84.57 -36.3 22.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.858 ' HG2' HD13 ' B' ' 5' ' ' LEU . 2.9 mt-10 -62.16 -46.59 88.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -63.27 -36.84 85.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.715 ' HG2' HG11 ' B' ' 9' ' ' VAL . 1.5 tt0 -63.07 -19.26 64.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.097 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.603 HG22 HG22 ' B' ' 9' ' ' VAL . 77.3 t -77.21 -59.96 2.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.766 0.317 . . . . 0.0 110.544 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.16 -26.38 50.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.74 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -64.61 -45.87 85.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.64 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 19.9 mt -86.42 -32.5 20.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.032 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -59.67 -23.96 63.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.138 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.17 -34.14 15.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.184 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -89.43 -53.28 4.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 12' ' ' LEU . 48.3 t30 -49.55 -30.14 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.283 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -85.06 -30.87 23.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.101 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -70.04 -31.25 68.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.351 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.799 ' O ' HG23 ' A' ' 23' ' ' VAL . 52.8 mt -87.0 -38.46 16.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.093 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -53.8 -25.98 21.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.123 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -95.68 -24.61 16.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.134 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -89.96 -23.1 21.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.228 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.809 HG21 ' HB3' ' B' ' 19' ' ' LEU . 15.9 t -90.02 -28.22 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.265 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.64 -26.0 20.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.516 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -104.46 -40.05 6.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.136 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.433 ' HB3' ' CB ' ' B' ' 26' ' ' LEU . 80.2 mt -59.17 -33.25 70.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.871 ' HA ' HD22 ' B' ' 26' ' ' LEU . 0.4 OUTLIER -90.19 50.39 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.919 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -70.24 -29.68 66.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -61.04 -43.48 98.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.831 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.16 -117.23 1.69 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 O-C-N 122.758 -0.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.848 ' CD ' HD12 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -90.64 22.09 3.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.569 0.223 . . . . 0.0 111.559 . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.686 ' O ' ' CB ' ' B' ' 6' ' ' LYS . 21.4 t -49.19 -17.68 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.508 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -93.94 -71.05 0.68 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.23 0.538 . . . . 0.0 112.031 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.31 -17.35 7.48 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.765 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.858 HD13 ' HG2' ' A' ' 6' ' ' GLU . 10.7 mt -105.45 -11.29 16.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.459 0.647 . . . . 0.0 110.323 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.686 ' CB ' ' O ' ' B' ' 2' ' ' VAL . 0.1 OUTLIER -89.78 -70.55 0.66 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.993 -179.193 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.4 -26.19 40.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.948 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.738 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -64.6 -31.6 72.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.944 -179.813 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.715 HG11 ' HG2' ' A' ' 8' ' ' GLU . 99.6 t -61.78 -48.93 86.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.539 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.699 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 1.9 mt-30 -55.54 -24.28 31.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.777 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.43 -20.65 54.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.465 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.454 HD12 HD12 ' A' ' 12' ' ' LEU . 0.7 OUTLIER -87.75 -47.64 8.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.094 0.473 . . . . 0.0 110.38 179.827 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.74 -23.22 49.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.593 -179.508 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -53.25 -58.48 6.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.92 0.39 . . . . 0.0 110.861 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.416 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 3.3 tpt180 -74.84 -49.61 19.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.468 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.578 ' OD1' HD12 ' A' ' 19' ' ' LEU . 38.8 t-20 -49.6 -52.52 29.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.2 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -51.29 -40.7 59.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.944 0.402 . . . . 0.0 110.714 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.42 -48.94 73.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.608 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.952 ' O ' HG23 ' B' ' 23' ' ' VAL . 1.3 mt -61.3 -56.44 20.49 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.422 ' HD3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -39.17 -31.2 0.07 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.683 179.539 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -83.17 -41.75 18.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.878 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.543 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.1 OUTLIER -90.31 -23.73 21.07 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.716 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.952 HG23 ' O ' ' B' ' 19' ' ' LEU . 65.8 t -41.38 -66.78 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 120.72 0.295 . . . . 0.0 111.388 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.406 ' O ' ' CD2' ' B' ' 28' ' ' HIS . 13.8 pt20 -57.89 -31.05 66.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.711 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' B' ' 22' ' ' LYS . . . -66.61 -39.87 88.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.749 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.871 HD22 ' HA ' ' A' ' 27' ' ' GLU . 76.7 mt -60.6 -64.1 1.07 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.525 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -29.47 63.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.077 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' B' ' 24' ' ' GLN . 0.4 OUTLIER -60.35 -31.14 70.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.835 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -60.42 3.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.74 -105.69 0.69 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.474 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 O-C-N 122.747 -0.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.177 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -90.48 25.52 2.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.733 0.301 . . . . 0.0 111.462 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 86.4 t -44.05 -57.34 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.391 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' ' 7' ' ' LYS . . . -55.11 -43.89 74.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -25.8 7.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.79 ' CD1' HG13 ' B' ' 2' ' ' VAL . 13.8 mt -97.52 -33.57 11.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.949 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.486 ' HG2' HD13 ' B' ' 5' ' ' LEU . 2.5 mt-10 -61.14 -66.37 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.723 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 3' ' ' ALA . 0.4 OUTLIER -56.7 -21.77 30.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.949 179.763 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 50.8 tt0 -57.63 -31.08 65.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.88 0.371 . . . . 0.0 110.2 179.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.595 HG13 HD11 ' B' ' 12' ' ' LEU . 12.4 t -78.83 -48.54 21.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.933 178.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.85 -30.38 5.73 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 121.324 0.583 . . . . 0.0 109.614 178.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.24 -73.9 0.12 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.48 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.021 HD12 HD12 ' B' ' 12' ' ' LEU . 0.6 OUTLIER -38.36 -61.47 0.68 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.368 179.318 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.806 ' HG3' HD13 ' B' ' 12' ' ' LEU . 50.6 mt-10 -52.58 -30.01 28.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.349 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.49 -36.75 16.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.168 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -90.14 -53.99 4.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.827 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.632 ' N ' ' O ' ' A' ' 12' ' ' LEU . 52.5 t-20 -47.94 -28.71 2.85 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.795 0.331 . . . . 0.0 110.907 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -80.67 -45.87 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.18 -41.96 60.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.891 ' O ' HG23 ' A' ' 23' ' ' VAL . 94.6 mt -73.59 -51.47 16.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.655 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -49.23 -28.24 4.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.24 -28.64 27.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -89.4 -29.56 18.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 19' ' ' LEU . 10.3 t -75.04 -27.81 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.135 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.25 -26.9 53.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.3 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -95.74 -33.15 12.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.953 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' A' ' 23' ' ' VAL . 50.3 mt -59.61 -69.22 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.948 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.585 ' HB3' HD22 ' B' ' 26' ' ' LEU . 7.9 pt-20 -87.35 55.63 3.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -67.42 -64.98 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.963 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -85.54 -31.17 22.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.96 -38.18 2.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.454 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 O-C-N 122.753 -0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.709 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.23 0.042 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.639 ' H ' ' HB3' ' B' ' 4' ' ' ALA . 9.4 mm-40 -90.17 -162.96 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.707 0.289 . . . . 0.0 111.208 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.79 HG13 ' CD1' ' A' ' 5' ' ' LEU . 99.7 t -42.43 -86.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.163 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.637 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.478 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 8.5 pt20 -56.59 -38.58 72.2 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.698 0.285 . . . . 0.0 111.378 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.639 ' HB3' ' H ' ' B' ' 1' ' ' GLU . . . -53.77 -29.93 42.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.68 -179.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.709 HD12 ' O ' ' B' ' 0' ' ' ACE . 8.5 mt -110.01 -43.45 3.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.686 0.755 . . . . 0.0 109.637 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.619 ' CD ' HD22 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -51.69 -44.4 63.12 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.352 -1.295 . . . . 0.0 111.242 179.601 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -76.55 -24.52 53.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.328 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.49 ' CD ' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -68.71 -25.63 64.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.107 -179.771 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 1.005 HG13 HD11 ' A' ' 12' ' ' LEU . 77.1 t -58.0 -31.82 42.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-O 121.132 0.491 . . . . 0.0 109.876 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.788 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 41.2 mt-30 -66.48 -12.51 57.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.934 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -91.26 -31.87 15.96 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 1.021 HD12 HD12 ' A' ' 12' ' ' LEU . 1.1 mt -91.41 -85.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.674 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.79 ' CD ' HD22 ' A' ' 12' ' ' LEU . 8.1 tptt -43.0 -29.62 0.35 Allowed 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 123.435 0.694 . . . . 0.0 112.753 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.788 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -43.07 -38.51 2.38 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 121.295 0.569 . . . . 0.0 110.634 -177.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.802 ' CD ' HD11 ' B' ' 19' ' ' LEU . 5.1 tmm_? -90.34 -30.15 17.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.175 178.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.634 ' OD1' HD12 ' A' ' 19' ' ' LEU . 63.9 t-20 -60.7 -50.93 71.51 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.938 0.399 . . . . 0.0 111.091 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -53.61 -30.3 41.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.273 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.51 -55.44 5.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.282 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.802 HD11 ' CD ' ' B' ' 15' ' ' ARG . 1.1 mt -58.74 -52.32 66.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.791 0.329 . . . . 0.0 110.188 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.51 ' CD ' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -44.5 -29.34 0.69 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.597 179.741 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -86.01 -40.11 16.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.854 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.471 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.46 -5.56 55.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -178.823 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.7 HG23 ' O ' ' B' ' 19' ' ' LEU . 19.7 t -43.54 -65.53 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-O 120.748 0.309 . . . . 0.0 111.356 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -67.69 -32.1 72.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.601 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.429 ' HB3' ' HA ' ' B' ' 22' ' ' LYS . . . -62.14 -31.73 72.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.68 HD12 HG13 ' A' ' 23' ' ' VAL . 22.8 mt -69.54 -63.6 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.745 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.443 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -53.4 -41.43 65.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.192 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -60.92 -51.89 67.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -73.15 97.85 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.47 56.45 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.444 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 O-C-N 122.693 -0.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.421 ' HA ' ' CH3' ' B' ' 0' ' ' ACE . 0.5 OUTLIER -89.79 176.41 6.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.911 0.386 . . . . 0.0 110.769 . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.578 ' N ' ' O ' ' B' ' 0' ' ' ACE . 42.4 t -63.26 -40.9 90.77 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-O 121.287 0.565 . . . . 0.0 109.924 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.408 ' O ' ' HD3' ' A' ' 7' ' ' LYS . . . -58.15 -32.69 68.42 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.274 178.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -71.86 -38.16 70.1 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.604 178.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.855 HD11 ' O ' ' B' ' 1' ' ' GLU . 10.5 mt -50.05 -47.01 53.64 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -45.94 67.13 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.95 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 1.3 mptt -66.96 -26.72 66.96 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.251 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.433 ' HG2' HG11 ' B' ' 9' ' ' VAL . 1.5 tt0 -71.11 -21.76 62.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.988 178.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.903 HG21 ' NE ' ' B' ' 8' ' ' ARG . 43.8 t -76.36 -59.25 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.331 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.7 -29.34 17.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.981 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.27 -56.46 20.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.457 179.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.572 HD12 HG13 ' B' ' 9' ' ' VAL . 61.2 mt -70.37 -31.57 68.87 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.866 0.365 . . . . 0.0 110.696 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -59.72 -25.72 65.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.662 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.04 -35.8 15.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.766 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -82.97 -57.78 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.591 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 12' ' ' LEU . 37.9 t30 -47.71 -31.05 4.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -82.75 -39.64 21.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.834 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.98 -27.84 68.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.246 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.885 ' O ' HG23 ' A' ' 23' ' ' VAL . 62.0 mt -90.37 -52.34 4.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.161 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -47.7 -28.34 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 111.35 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.45 -28.5 16.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.154 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.06 -33.54 24.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.995 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 19' ' ' LEU . 22.1 t -62.86 -32.9 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.033 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.65 -27.7 68.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.035 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -93.24 -34.33 13.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 23' ' ' VAL . 63.2 mt -57.63 -57.2 13.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.55 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.1 OUTLIER -90.04 51.34 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -83.76 -59.39 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.37 -31.19 29.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.69 126.33 7.71 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.575 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 O-C-N 122.698 -0.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.578 ' O ' ' N ' ' A' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.222 -0.361 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.855 ' O ' HD11 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -90.14 4.63 49.85 Favored 'General case' 0 CA--C 1.474 -1.956 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 1.124 ' O ' ' N ' ' B' ' 4' ' ' ALA . 2.4 p -27.69 117.82 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.421 -1.889 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.317 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.559 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -31.02 1.61 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.854 0 O-C-N 124.682 1.239 . . . . 0.0 110.309 178.799 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 1.124 ' N ' ' O ' ' B' ' 2' ' ' VAL . . . -45.91 -50.51 14.47 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.419 177.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.744 ' O ' HG23 ' B' ' 9' ' ' VAL . 5.9 mt -123.22 -9.18 8.14 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.243 -1.799 . . . . 0.0 108.709 177.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.816 ' N ' HD13 ' A' ' 5' ' ' LEU . 8.7 ttpp -81.1 -20.92 40.42 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.363 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.421 ' HB3' ' CG ' ' B' ' 3' ' ' GLN . 2.0 ptmt -78.89 -20.48 49.36 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 177.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.903 ' NE ' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -90.05 -30.13 17.93 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.119 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.774 HG22 HG22 ' A' ' 9' ' ' VAL . 91.6 t -63.81 -31.31 52.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.599 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.651 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 4.5 mt-30 -59.74 -21.82 61.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.053 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.7 2.67 25.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.947 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.785 HD11 HG13 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -113.93 -50.43 2.83 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.897 0.379 . . . . 0.0 110.822 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.427 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -78.94 -19.09 52.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.596 -179.652 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -55.82 -62.33 1.77 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.898 0.38 . . . . 0.0 111.035 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -71.05 -39.11 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.767 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.884 ' OD1' HD12 ' A' ' 19' ' ' LEU . 41.4 t-20 -60.43 -43.1 97.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.955 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -52.17 -36.87 52.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.142 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.05 -49.67 48.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.863 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.9 OUTLIER -65.67 -51.58 58.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.837 0.351 . . . . 0.0 110.091 179.623 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.63 ' HG3' HD11 ' A' ' 19' ' ' LEU . 5.5 tttm -45.76 -29.72 1.4 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.287 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.87 -42.37 21.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.634 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -14.49 33.4 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.863 HG23 ' O ' ' B' ' 19' ' ' LEU . 42.5 t -46.82 -67.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.798 0.332 . . . . 0.0 111.187 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -59.78 -29.12 67.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.867 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.67 -38.87 84.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.028 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.55 HD22 ' HB3' ' A' ' 27' ' ' GLU . 39.1 mt -62.58 -61.0 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.527 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -56.17 -31.35 63.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -64.75 -30.87 71.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.923 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.14 -46.38 11.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -160.94 93.36 0.12 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.554 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 O-C-N 122.721 -0.282 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -90.08 148.61 22.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.914 0.387 . . . . 0.0 110.799 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.8 t -55.93 -48.02 79.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.252 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.56 -35.72 75.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -56.47 -39.07 72.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.686 HD13 ' HB2' ' B' ' 6' ' ' LYS . 46.6 mt -70.67 -31.51 68.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -62.89 -39.86 95.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -75.17 -30.55 60.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.748 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.691 ' HG2' HG11 ' B' ' 9' ' ' VAL . 28.3 tt0 -58.63 -25.4 62.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.719 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.616 HG13 HD11 ' B' ' 12' ' ' LEU . 93.8 t -81.53 -55.03 8.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.416 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.82 -25.95 21.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.652 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -65.08 -47.58 76.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.424 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.452 HD12 HG13 ' B' ' 9' ' ' VAL . 19.6 mt -85.99 -48.47 8.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.693 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -46.83 -28.67 1.64 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.225 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.66 -31.51 22.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.096 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' OE2' HD11 ' A' ' 19' ' ' LEU . 5.7 tm-20 -90.06 -56.41 3.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' LEU . 40.2 t30 -49.63 -44.58 47.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.202 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -67.63 -41.99 83.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.98 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -59.79 -32.2 70.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.86 ' O ' HG23 ' A' ' 23' ' ' VAL . 68.8 mt -89.64 -45.81 9.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.09 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -47.01 -28.73 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.339 . . . . 0.0 111.263 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.0 tp60 -94.41 -31.02 14.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.409 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -79.69 -26.2 41.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.749 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 19' ' ' LEU . 25.1 t -75.77 -26.44 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.147 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.77 -16.93 60.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.552 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -111.89 -34.15 6.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.603 0.239 . . . . 0.0 111.309 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.544 HD22 ' HB3' ' B' ' 27' ' ' ARG . 50.5 mt -55.18 -49.53 71.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.271 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.11 53.33 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.92 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -71.56 -32.75 68.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -65.55 -57.78 7.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.59 42.21 55.58 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 O-C-N 122.778 -0.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.739 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.231 0.12 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.657 ' H ' ' HB3' ' B' ' 4' ' ' ALA . 0.5 OUTLIER -90.15 -166.84 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.318 . . . . 0.0 111.203 . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.452 HG23 ' H ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -43.28 -88.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.577 -179.842 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.473 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 0.4 OUTLIER -58.52 -34.04 70.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.667 0.27 . . . . 0.0 111.337 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.657 ' HB3' ' H ' ' B' ' 1' ' ' GLU . . . -56.71 -29.59 62.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.378 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.739 HD12 ' O ' ' B' ' 0' ' ' ACE . 10.0 mt -111.13 -44.52 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.711 0.767 . . . . 0.0 109.762 179.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.686 ' HB2' HD13 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -48.11 -35.05 10.73 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.368 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -90.04 -28.71 18.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.427 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.705 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -65.65 -27.44 68.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.722 0.296 . . . . 0.0 110.987 -179.84 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.691 HG11 ' HG2' ' A' ' 8' ' ' GLU . 54.7 t -59.05 -41.49 83.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.509 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 30.5 mt-30 -57.59 -22.31 44.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.025 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.97 2.03 40.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.815 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.616 HD11 HG13 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -114.6 -37.8 4.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.833 0.349 . . . . 0.0 110.84 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.41 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -90.1 -21.92 22.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.462 -179.498 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -59.72 -51.8 68.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -83.88 -33.94 24.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.984 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -63.22 -47.32 83.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -48.87 -30.3 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.141 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.76 -53.18 8.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.899 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.744 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.8 OUTLIER -63.73 -51.72 63.67 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.478 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.407 ' HG3' HD11 ' A' ' 19' ' ' LEU . 2.4 tttt -44.42 -29.61 0.72 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.201 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -85.58 -39.56 17.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.693 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.418 ' CG ' ' HA ' ' B' ' 19' ' ' LEU . 0.2 OUTLIER -90.45 -5.04 56.56 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.848 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.744 HG23 ' O ' ' B' ' 19' ' ' LEU . 21.5 t -47.66 -66.87 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.192 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.437 ' HB2' ' CE1' ' B' ' 28' ' ' HIS . 9.4 pt20 -62.6 -36.42 82.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.835 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.17 -27.45 63.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.415 HD22 ' HB3' ' A' ' 27' ' ' GLU . 20.5 mt -78.37 -55.47 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.935 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.544 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -65.64 -43.71 88.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.295 -179.739 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' B' ' 24' ' ' GLN . 27.4 m170 -59.76 -60.4 3.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.924 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -67.77 -45.94 73.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.12 65.02 1.36 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 O-C-N 122.736 -0.273 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -60.66 110.35 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.3 t -90.09 -56.99 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.278 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.98 -26.83 39.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.436 -179.744 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -81.97 1.59 34.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.534 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.568 HD11 HG13 ' B' ' 2' ' ' VAL . 88.7 mt -117.94 -40.66 2.97 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.77 0.319 . . . . 0.0 110.896 179.762 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.759 ' HA ' HD13 ' B' ' 5' ' ' LEU . 1.1 mt-10 -57.86 -74.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.573 179.701 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -23.92 44.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.783 179.706 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.683 ' HG2' HG11 ' B' ' 9' ' ' VAL . 5.4 tt0 -58.12 -28.62 64.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.875 0.369 . . . . 0.0 110.503 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.701 HG22 HG22 ' B' ' 9' ' ' VAL . 79.6 t -72.89 -57.56 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.448 179.592 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.77 -26.3 33.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.652 179.441 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -53.94 32.2 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.54 179.642 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.461 ' CB ' ' HB2' ' B' ' 12' ' ' LEU . 46.9 mt -73.43 -31.11 63.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.733 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -60.45 -25.71 66.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.827 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.86 -36.72 14.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.98 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.08 -54.64 5.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.767 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.422 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 38.8 t30 -51.81 -31.05 25.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.001 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -77.28 -41.82 39.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -56.91 -26.2 58.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.316 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.89 ' O ' HG23 ' A' ' 23' ' ' VAL . 53.4 mt -95.7 -47.2 6.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.979 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -48.81 -27.77 3.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.332 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -93.4 -29.35 15.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -83.03 -25.91 31.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.028 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 19' ' ' LEU . 21.4 t -77.03 -32.08 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.61 -34.18 72.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.003 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -80.18 -38.95 30.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.489 HD13 ' HB2' ' B' ' 26' ' ' LEU . 40.2 mt -60.17 -66.86 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.516 ' HB3' HD22 ' B' ' 26' ' ' LEU . 19.3 pt-20 -90.0 52.64 2.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -71.02 -34.06 70.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -31.87 65.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.01 -178.74 16.56 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 O-C-N 122.727 -0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.033 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.67 ' N ' ' HB3' ' B' ' 4' ' ' ALA . 11.8 pt-20 -90.01 -170.38 2.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 111.295 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.681 HG12 ' HE3' ' B' ' 6' ' ' LYS . 45.5 t -38.26 -80.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.223 -0.337 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.925 -179.529 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.467 ' HG2' ' N ' ' B' ' 4' ' ' ALA . 0.0 OUTLIER -57.97 -33.63 69.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.599 -179.6 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.67 ' HB3' ' N ' ' B' ' 1' ' ' GLU . . . -63.49 -25.55 68.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.749 0.309 . . . . 0.0 111.428 -179.816 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.759 HD13 ' HA ' ' A' ' 6' ' ' GLU . 12.1 mt -110.87 -48.4 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.731 0.777 . . . . 0.0 109.643 179.254 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.681 ' HE3' HG12 ' B' ' 2' ' ' VAL . 9.4 ttpp -45.12 -41.85 8.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.442 -1.254 . . . . 0.0 110.997 179.142 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.423 ' HD3' ' O ' ' B' ' 3' ' ' GLN . 10.8 mtpt -71.7 -38.83 70.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.605 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -70.34 -26.89 63.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.314 -179.694 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 9' ' ' VAL . 89.4 t -67.6 -50.65 59.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.776 0.322 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.526 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 1.2 pt20 -50.34 -29.01 8.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.013 -179.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.53 -18.98 63.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.578 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.555 HD11 HG13 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -92.41 -41.43 10.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.884 0.373 . . . . 0.0 110.932 -179.912 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -85.5 -25.93 26.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.719 -179.424 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -54.09 -53.48 52.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.964 0.411 . . . . 0.0 110.958 179.796 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.637 ' HG3' HD21 ' B' ' 19' ' ' LEU . 2.9 tpt85 -80.41 -45.29 17.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.589 179.622 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.604 ' OD1' HD12 ' A' ' 19' ' ' LEU . 49.7 t-20 -53.59 -51.02 64.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.021 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -53.56 -29.02 35.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.669 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.33 -44.81 24.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.019 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.925 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.7 OUTLIER -63.76 -56.39 15.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 179.694 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.456 ' HG3' HD11 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -42.8 -28.67 0.26 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.663 179.733 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -86.72 -39.66 15.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.76 -179.568 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.557 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.1 OUTLIER -90.29 -20.8 22.52 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.047 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.925 HG23 ' O ' ' B' ' 19' ' ' LEU . 73.4 t -42.04 -43.31 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 120.764 0.316 . . . . 0.0 111.378 -179.419 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.411 ' HA ' ' HD3' ' B' ' 27' ' ' ARG . 28.7 pt20 -74.17 -34.17 63.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.696 179.662 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.43 -30.25 71.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.953 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.865 ' CD1' HG13 ' A' ' 23' ' ' VAL . 36.1 mt -72.38 -63.49 1.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.798 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.411 ' HD3' ' HA ' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -54.72 -23.71 18.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.449 -179.883 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -81.63 -53.91 5.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.784 0.325 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -174.27 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 170.68 -34.83 0.17 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 O-C-N 122.787 -0.243 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -90.38 26.06 2.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 111.518 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.8 t -44.54 -65.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.514 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.7 91.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.154 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -28.52 9.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.999 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.772 HD22 ' HA ' ' B' ' 6' ' ' LYS . 6.6 mt -95.04 -28.98 14.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.671 179.68 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.655 ' HG2' HD13 ' B' ' 5' ' ' LEU . 3.9 mt-10 -60.54 -37.97 82.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -87.85 -27.96 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.745 ' HG2' HG11 ' B' ' 9' ' ' VAL . 3.4 tt0 -59.36 -25.35 64.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.125 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.673 HG11 ' NH2' ' B' ' 8' ' ' ARG . 69.7 t -74.91 -59.06 3.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.835 0.35 . . . . 0.0 110.49 179.534 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.59 -26.28 21.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.685 179.397 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -65.53 -50.95 63.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.565 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' B' ' 13' ' ' LYS . 32.5 mt -78.51 -30.98 47.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.729 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.622 ' OE1' HG12 ' A' ' 9' ' ' VAL . 26.6 mt-10 -59.85 -27.03 66.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.731 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.92 -37.34 14.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -80.36 -54.82 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.681 179.777 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 12' ' ' LEU . 43.7 t-20 -52.46 -31.76 36.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.992 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -73.79 -42.46 60.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -24.85 53.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.419 -179.622 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.871 ' O ' HG23 ' A' ' 23' ' ' VAL . 44.4 mt -97.79 -48.76 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.067 -179.751 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -49.21 -28.51 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.206 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.26 -30.37 20.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.1 -179.906 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -83.27 -37.52 23.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 19' ' ' LEU . 10.9 t -64.6 -39.59 86.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.071 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.63 -27.15 64.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.231 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -97.3 -40.37 8.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 35.7 mt -59.41 -68.75 0.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.499 ' HB3' HD22 ' B' ' 26' ' ' LEU . 1.1 pt-20 -86.46 57.78 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -70.94 -44.84 65.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -76.75 -67.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.32 121.9 5.93 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 O-C-N 122.671 -0.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.692 ' H1 ' ' HB1' ' B' ' 4' ' ' ALA . . . . . . . . 0 C--O 1.23 0.06 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.63 ' N ' ' HB3' ' B' ' 4' ' ' ALA . 2.7 mt-10 -90.48 -158.58 0.55 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.744 0.307 . . . . 0.0 111.688 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -34.75 -85.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -179.287 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.523 ' HA ' ' HE3' ' B' ' 7' ' ' LYS . 14.7 pt20 -49.16 -26.75 3.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.836 0.351 . . . . 0.0 111.423 -179.409 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.692 ' HB1' ' H1 ' ' B' ' 0' ' ' ACE . . . -72.87 -25.31 61.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.263 179.852 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.712 HD23 ' HD3' ' B' ' 8' ' ' ARG . 2.9 mt -111.42 -48.84 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.677 0.751 . . . . 0.0 109.536 179.589 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.772 ' HA ' HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -43.72 -32.09 0.94 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.255 179.185 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.523 ' HE3' ' HA ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -90.11 -31.32 17.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.334 -179.693 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.712 ' HD3' HD23 ' B' ' 5' ' ' LEU . 0.1 OUTLIER -73.3 -16.29 61.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.256 -179.715 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.745 HG11 ' HG2' ' A' ' 8' ' ' GLU . 98.7 t -74.64 -51.97 20.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.867 0.365 . . . . 0.0 110.474 179.313 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.531 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 0.2 OUTLIER -49.63 -29.77 7.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.093 -179.779 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.71 -20.55 65.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.516 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.585 HD11 HG13 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -91.05 -44.79 9.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.95 0.405 . . . . 0.0 110.812 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -80.71 -24.68 38.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.53 -179.55 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -54.06 -53.15 57.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.845 0.355 . . . . 0.0 110.953 179.853 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.471 ' HG3' HD21 ' B' ' 19' ' ' LEU . 16.9 tpp180 -82.79 -41.34 19.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.595 179.76 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.793 ' OD1' HD12 ' A' ' 19' ' ' LEU . 49.0 t30 -55.05 -49.2 72.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -51.55 -32.47 28.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.728 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.38 -44.67 35.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.05 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.856 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.8 OUTLIER -62.47 -56.8 14.66 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.698 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.73 -28.86 0.16 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.695 179.857 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -85.19 -41.23 15.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.692 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.655 ' HD3' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.28 -32.36 16.56 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.105 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.856 HG23 ' O ' ' B' ' 19' ' ' LEU . 86.0 t -38.93 -58.0 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 120.715 0.293 . . . . 0.0 111.722 -179.338 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.431 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 2.5 pt20 -61.65 -34.63 76.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.96 -43.14 93.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.093 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.655 HD11 ' HD3' ' B' ' 22' ' ' LYS . 56.7 mt -60.23 -60.83 3.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.431 ' CD ' ' HA ' ' B' ' 24' ' ' GLN . 2.2 ptt180 -54.78 -27.11 39.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -33.53 76.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.979 179.871 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.72 51.9 2.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.989 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -159.9 -107.28 0.23 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.491 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 O-C-N 122.728 -0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -88.84 111.42 22.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.64 -46.99 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.69 ' HB1' ' HE2' ' A' ' 7' ' ' LYS . . . -55.68 -23.28 27.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.348 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -87.23 7.65 27.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.356 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.897 ' CD1' HG13 ' B' ' 2' ' ' VAL . 18.2 mt -117.14 -39.11 3.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.768 0.318 . . . . 0.0 110.851 179.9 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -76.98 -60.74 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.651 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.69 ' HE2' ' HB1' ' A' ' 3' ' ' ALA . 16.5 mtmt -60.6 -29.85 69.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.777 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.685 ' HG2' HG11 ' B' ' 9' ' ' VAL . 3.9 tt0 -55.63 -27.27 48.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.783 ' CG2' HG22 ' B' ' 9' ' ' VAL . 75.7 t -71.31 -56.65 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.425 179.537 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.65 -27.31 62.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.043 0.449 . . . . 0.0 110.404 179.33 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -50.27 52.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.684 179.65 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.565 HD12 HG13 ' B' ' 9' ' ' VAL . 21.5 mt -78.69 -34.71 45.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.882 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -59.97 -27.53 66.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.889 0.376 . . . . 0.0 110.563 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.04 -36.11 15.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.818 179.541 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -82.38 -57.02 3.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.728 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 12' ' ' LEU . 45.0 t30 -50.97 -35.29 32.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 179.661 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.401 ' CE1' ' OE1' ' A' ' 21' ' ' GLN . 35.4 t80 -74.9 -43.91 51.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.047 -179.89 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -42.52 85.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 -179.765 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.768 ' O ' HG23 ' A' ' 23' ' ' VAL . 10.8 mt -75.21 -50.03 17.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.066 -179.776 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -46.54 -28.85 1.55 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.897 0.38 . . . . 0.0 111.256 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.401 ' OE1' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -83.88 -34.86 24.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.975 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -81.76 -39.36 24.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.761 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 19' ' ' LEU . 16.3 t -62.18 -36.96 77.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.03 -25.67 63.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.113 179.818 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -101.88 -30.02 11.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.607 HD22 ' HB3' ' B' ' 27' ' ' ARG . 19.6 mt -63.53 -47.14 82.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.502 ' HB3' HD22 ' B' ' 26' ' ' LEU . 0.4 OUTLIER -90.07 52.9 2.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.013 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -90.0 -51.1 5.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -90.18 17.98 6.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.504 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.47 170.84 31.54 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.391 0 O-C-N 122.714 -0.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.667 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.611 ' N ' ' HB3' ' B' ' 4' ' ' ALA . 8.8 mt-10 -89.25 -163.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 111.183 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.897 HG13 ' CD1' ' A' ' 5' ' ' LEU . 87.0 t -44.64 -87.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.213 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.733 -179.628 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -55.79 -26.82 48.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.65 0.262 . . . . 0.0 111.582 -179.518 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.611 ' HB3' ' N ' ' B' ' 1' ' ' GLU . . . -67.63 -28.91 68.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.783 0.325 . . . . 0.0 111.463 -179.678 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.667 HD12 ' O ' ' B' ' 0' ' ' ACE . 9.4 mt -110.96 -42.7 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.561 0.696 . . . . 0.0 109.831 179.491 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.605 ' HD3' HD22 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -47.05 -30.11 2.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.176 179.54 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.53 -23.91 31.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.354 -179.784 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.602 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -83.13 -26.13 31.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.227 -179.824 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.783 HG22 ' CG2' ' A' ' 9' ' ' VAL . 64.2 t -65.95 -37.27 79.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.621 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -57.75 -21.09 39.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.143 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.52 4.92 25.93 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.843 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.426 HD12 HD12 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -116.75 -50.91 2.59 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.87 0.366 . . . . 0.0 110.745 179.924 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -76.88 -19.97 56.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.423 -179.659 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -56.52 -56.68 18.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 111.158 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -80.88 -38.93 27.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.4 ' HB3' ' HA ' ' B' ' 13' ' ' LYS . 58.2 t-20 -55.54 -48.13 75.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.05 -179.92 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -51.12 -30.71 17.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.092 -179.826 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.02 -50.04 12.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.748 ' HB3' HG21 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -64.87 -52.65 55.45 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.589 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.56 -28.83 1.03 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.37 179.718 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -40.59 15.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.676 -179.513 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.454 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -90.4 -4.02 57.32 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.779 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.711 HG23 ' O ' ' B' ' 19' ' ' LEU . 21.7 t -45.09 -61.47 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 120.835 0.35 . . . . 0.0 111.261 -179.507 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.419 ' HA ' ' CG ' ' B' ' 27' ' ' ARG . 65.9 mt-30 -61.81 -44.81 96.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.78 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.33 -30.61 12.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.26 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.521 ' CD1' HG13 ' A' ' 23' ' ' VAL . 60.1 mt -78.77 -60.85 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.607 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -58.19 -54.82 42.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.305 -179.742 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -69.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.938 -179.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -63.41 159.91 17.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 146.89 45.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.428 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.37 0 O-C-N 122.766 -0.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.874 ' C ' ' H3 ' ' B' ' 0' ' ' ACE . 1.3 pt-20 -90.12 122.41 33.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 111.113 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 1.041 HG22 HG13 ' B' ' 2' ' ' VAL . 38.0 t -43.23 -41.16 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.434 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 6' ' ' GLU . . . -47.17 -26.52 1.17 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.233 -179.58 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -60.49 -24.04 64.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.268 0.556 . . . . 0.0 109.772 178.63 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.932 HD11 ' O ' ' B' ' 1' ' ' GLU . 15.7 mt -78.42 -36.52 45.51 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.541 179.272 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' ' 3' ' ' ALA . 0.2 OUTLIER -47.0 -32.04 3.64 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.452 0.644 . . . . 0.0 110.15 179.797 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -77.18 -33.61 56.42 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.782 -179.899 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.621 ' HG2' HG21 ' B' ' 9' ' ' VAL . 2.4 tt0 -67.04 -22.51 65.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.882 178.187 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.755 HG12 ' CD ' ' A' ' 13' ' ' GLU . 94.7 t -81.62 -49.04 18.22 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.723 179.154 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.3 -24.4 43.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.998 178.733 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -56.23 -61.94 2.05 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.21 179.373 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.671 HD12 HD12 ' B' ' 12' ' ' LEU . 13.4 mt -70.77 -52.13 22.63 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 120.471 -0.492 . . . . 0.0 109.961 178.875 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.755 ' CD ' HG12 ' A' ' 9' ' ' VAL . 71.4 mt-10 -34.38 -35.56 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.335 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -64.58 -55.91 17.35 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.417 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' LEU . 2.7 pt-20 -79.04 -43.86 23.39 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.252 178.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.56 ' OD1' ' CB ' ' B' ' 16' ' ' ASN . 0.8 OUTLIER -50.66 -27.78 7.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.96 179.146 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -82.79 -22.69 34.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.696 179.604 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -77.59 0.18 24.07 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.483 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.808 ' O ' HG23 ' A' ' 23' ' ' VAL . 31.5 mt -124.69 -58.95 1.47 Allowed 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.0 109.997 179.536 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -28.4 32.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.084 179.534 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.15 -32.48 10.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.814 179.809 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -77.3 -27.64 53.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.641 179.704 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.015 HG13 HD13 ' B' ' 26' ' ' LEU . 45.8 t -62.55 -44.04 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.172 179.438 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.12 -24.3 25.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.441 179.903 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.491 ' HA ' ' CE1' ' A' ' 28' ' ' HIS . 8.2 pt20 -104.0 -32.14 9.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.195 -179.847 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.453 ' HA ' ' CG ' ' A' ' 29' ' ' GLU . 6.4 mt -55.17 -54.73 39.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.024 0.44 . . . . 0.0 111.475 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -41.97 68.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.64 -178.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.491 ' CE1' ' HA ' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -90.02 -19.44 24.41 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.775 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.453 ' CG ' ' HA ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -90.0 50.72 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 111.121 -179.713 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.9 65.02 3.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.465 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.37 0 O-C-N 122.778 -0.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.874 ' H3 ' ' C ' ' A' ' 1' ' ' GLU . . . . . . . . 0 C--O 1.229 -0.015 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.932 ' O ' HD11 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -91.61 -12.82 33.15 Favored 'General case' 0 CA--C 1.485 -1.531 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 . . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 1.132 ' O ' ' N ' ' B' ' 4' ' ' ALA . 0.1 OUTLIER -29.32 115.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.169 -179.274 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.567 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 5.1 mt-30 -29.18 9.37 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 125.037 1.461 . . . . 0.0 111.845 -179.483 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 1.132 ' N ' ' O ' ' B' ' 2' ' ' VAL . . . -53.66 -48.14 69.7 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 122.482 1.134 . . . . 0.0 108.128 177.6 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.641 ' O ' HG23 ' B' ' 9' ' ' VAL . 2.7 mt -127.14 -4.84 6.17 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 112.843 -1.98 . . . . 0.0 108.821 177.442 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.752 ' HB2' HD21 ' A' ' 5' ' ' LEU . 7.4 ttpp -84.38 -17.14 40.34 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.152 -179.765 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.465 ' HB3' ' HB3' ' B' ' 3' ' ' GLN . 15.8 ptmt -90.1 -17.42 27.75 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.965 177.667 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.586 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -90.17 -33.73 16.11 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.358 -179.013 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.641 HG23 ' O ' ' B' ' 5' ' ' LEU . 94.9 t -46.39 -46.67 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 120.691 0.281 . . . . 0.0 111.147 -179.523 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.607 ' O ' ' HB3' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -50.5 -31.9 16.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.074 0.464 . . . . 0.0 110.058 179.494 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' B' ' 8' ' ' ARG . . . -60.16 -19.91 56.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.31 179.539 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.676 HD11 HG13 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -95.88 -53.48 3.67 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.865 0.364 . . . . 0.0 110.371 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.51 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.35 -44.72 28.43 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -178.78 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' B' ' 10' ' ' GLN . . . -53.95 -38.06 64.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.683 0.277 . . . . 0.0 111.569 -179.319 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 12.8 tpp85 -90.11 -34.31 15.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.553 -179.747 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.808 ' OD1' HD12 ' A' ' 19' ' ' LEU . 40.9 t30 -74.22 -35.98 63.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.71 0.29 . . . . 0.0 111.352 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -48.29 -47.19 36.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.059 0.456 . . . . 0.0 110.583 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.38 -42.25 98.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.474 -179.65 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.74 ' HA ' ' HG2' ' B' ' 22' ' ' LYS . 1.0 OUTLIER -60.81 -47.65 85.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.965 0.412 . . . . 0.0 110.247 -179.869 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.442 ' HG3' HD11 ' A' ' 19' ' ' LEU . 17.2 tttt -45.42 -28.5 0.89 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.126 179.626 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.55 -34.22 23.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.486 -179.642 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.74 ' HG2' ' HA ' ' B' ' 19' ' ' LEU . 14.9 ptmt -90.05 -9.52 48.24 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.249 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.606 HG22 HD22 ' A' ' 19' ' ' LEU . 61.9 t -40.65 -55.05 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 120.68 0.276 . . . . 0.0 111.493 -179.162 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.432 ' HA ' ' CD ' ' B' ' 27' ' ' ARG . 7.8 mt-30 -69.34 -31.5 69.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.629 179.727 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.98 -21.93 65.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 1.015 HD13 HG13 ' A' ' 23' ' ' VAL . 30.8 mt -78.04 -60.05 2.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.432 ' CD ' ' HA ' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -49.7 -25.91 3.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.328 179.906 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -63.36 -30.48 71.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' B' ' 26' ' ' LEU . 0.6 OUTLIER -58.17 -173.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.928 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -110.84 -76.48 0.85 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.536 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 O-C-N 122.78 -0.247 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -90.45 24.76 2.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.723 0.297 . . . . 0.0 111.467 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 90.8 t -42.87 -57.62 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.563 179.824 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.58 -29.21 66.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -72.29 -9.78 58.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.493 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.722 HD13 ' HB2' ' B' ' 6' ' ' LYS . 9.6 mt -107.4 -32.51 7.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.772 0.32 . . . . 0.0 111.083 -179.821 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -73.76 -56.55 4.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.002 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -62.18 -29.21 70.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.525 ' HG2' HG11 ' B' ' 9' ' ' VAL . 57.5 tt0 -58.51 -25.45 62.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 179.842 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.489 HG21 HD22 ' B' ' 5' ' ' LEU . 87.3 t -74.72 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.77 179.796 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.28 -26.11 11.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.944 179.728 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -53.51 33.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.694 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.487 HD12 HG13 ' B' ' 9' ' ' VAL . 32.2 mt -77.52 -31.7 53.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.962 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.7 -25.1 64.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.99 -36.64 14.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.184 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -85.11 -53.67 5.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.437 ' CB ' ' HB2' ' B' ' 16' ' ' ASN . 40.4 t30 -49.39 -32.84 12.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.432 ' CE1' ' HG3' ' A' ' 21' ' ' GLN . 31.3 t80 -76.91 -36.68 56.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -59.51 -29.9 68.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.278 -179.705 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.772 ' O ' HG23 ' A' ' 23' ' ' VAL . 37.1 mt -92.3 -53.97 4.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.188 -179.81 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -47.66 -28.13 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.391 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.432 ' HG3' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -91.74 -25.22 19.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.195 -179.846 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -89.54 -34.98 16.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.799 0.333 . . . . 0.0 111.001 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 19' ' ' LEU . 21.9 t -64.49 -28.99 46.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.531 ' HB3' ' OE1' ' A' ' 25' ' ' GLN . . . -58.95 -28.03 65.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.531 ' OE1' ' HB3' ' A' ' 24' ' ' ALA . 2.8 mp0 -99.23 -30.18 12.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.019 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 23' ' ' VAL . 72.5 mt -56.64 -54.89 40.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.03 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.727 ' HB3' HD22 ' B' ' 26' ' ' LEU . 7.5 pt-20 -90.03 58.3 4.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -86.63 -48.1 8.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.59 -61.05 2.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.941 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.67 -55.09 2.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.449 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 O-C-N 122.694 -0.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.658 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.458 ' N ' ' HB3' ' B' ' 4' ' ' ALA . 1.5 pm0 -78.42 -173.16 3.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.928 0.394 . . . . 0.0 111.314 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.673 HG13 ' CD1' ' A' ' 5' ' ' LEU . 45.6 t -38.69 -81.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.223 -0.32 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.966 -179.564 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -57.28 -43.65 83.32 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.839 0.352 . . . . 0.0 111.444 -179.672 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.458 ' HB3' ' N ' ' B' ' 1' ' ' GLU . . . -53.6 -27.53 27.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.788 -179.353 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.658 HD12 ' O ' ' B' ' 0' ' ' ACE . 12.2 mt -110.35 -46.07 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 0.0 110.05 179.499 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.722 ' HB2' HD13 ' A' ' 5' ' ' LEU . 8.8 ttpt -47.66 -39.14 16.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.259 179.471 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -81.04 -42.41 21.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.369 -179.492 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.636 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -53.76 -25.87 20.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.367 -179.482 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.525 HG11 ' HG2' ' A' ' 8' ' ' GLU . 57.4 t -60.7 -42.98 94.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.568 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -55.83 -22.95 27.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.129 -179.861 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.97 1.31 31.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.848 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.433 HD12 HD12 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -112.25 -51.14 2.86 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.898 0.38 . . . . 0.0 110.819 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.439 ' HB3' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -76.92 -26.17 53.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.586 -179.496 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -52.55 -51.06 61.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.822 0.344 . . . . 0.0 111.131 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.402 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 0.3 OUTLIER -82.14 -47.74 12.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.65 179.686 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.453 ' OD1' HD12 ' A' ' 19' ' ' LEU . 27.4 t30 -51.22 -48.12 62.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -54.2 -34.12 59.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 110.642 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.62 -49.47 21.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.731 ' HB3' HG21 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -61.9 -54.88 35.9 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.496 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.27 -29.54 0.41 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.465 179.681 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -86.52 -40.56 15.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.677 -179.585 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.423 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -90.45 -3.17 57.85 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.904 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.712 HG23 ' O ' ' B' ' 19' ' ' LEU . 19.9 t -46.67 -65.06 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 111.209 -179.564 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -61.56 -41.15 96.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.74 -29.0 37.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.741 ' CD1' HG13 ' A' ' 23' ' ' VAL . 39.1 mt -77.49 -63.72 1.31 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.429 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -55.92 -26.77 49.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.19 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -65.23 -61.67 1.99 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.804 0.335 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.09 101.06 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.31 163.82 9.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 O-C-N 122.792 -0.24 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.058 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -76.93 105.06 7.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -77.36 -63.22 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.02 -29.45 60.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -61.49 -35.13 76.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.806 HD13 ' HB2' ' B' ' 6' ' ' LYS . 28.2 mt -77.44 -29.99 53.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -56.98 -50.09 73.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -69.51 -24.73 63.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.969 -179.886 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.727 ' OE1' HG21 ' B' ' 9' ' ' VAL . 35.3 tt0 -57.37 -28.54 63.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.596 179.477 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.625 HG13 HD11 ' B' ' 12' ' ' LEU . 98.6 t -77.64 -55.76 9.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.584 179.551 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.83 -28.03 46.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.758 179.604 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -59.71 -55.27 36.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.671 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.454 HD12 HG13 ' B' ' 9' ' ' VAL . 24.3 mt -75.66 -38.22 58.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 179.83 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -51.51 -26.09 7.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.172 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.48 -36.01 22.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.024 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.31 -55.62 3.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.801 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -49.69 -37.11 27.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.046 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -69.97 -44.23 69.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.35 -25.63 59.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.363 -179.798 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.902 HD12 ' OD1' ' B' ' 16' ' ' ASN . 63.6 mt -99.07 -47.96 5.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.028 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -51.09 -26.76 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.146 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.47 -28.62 20.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -85.88 -38.71 17.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.796 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 19' ' ' LEU . 16.4 t -62.19 -39.53 84.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.722 179.858 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.12 -31.49 68.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.713 179.668 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -82.36 -39.29 22.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.695 179.759 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.578 HD22 ' HB3' ' B' ' 27' ' ' ARG . 31.8 mt -56.43 -73.52 0.06 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.807 179.822 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.815 ' HB3' HD22 ' B' ' 26' ' ' LEU . 4.9 pt-20 -90.12 51.11 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.86 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -67.38 -34.72 77.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.3 pm0 -60.4 -31.0 69.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.88 30.66 3.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.483 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.394 0 O-C-N 122.767 -0.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.761 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.23 0.066 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.64 ' H ' ' HB3' ' B' ' 4' ' ' ALA . 1.3 mt-10 -90.22 -167.51 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 0.0 111.287 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.462 HG23 ' H ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -42.71 -87.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.482 -179.808 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.469 ' HA ' ' HB3' ' B' ' 6' ' ' LYS . 4.0 pt20 -56.65 -38.35 72.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.806 0.336 . . . . 0.0 111.231 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.64 ' HB3' ' H ' ' B' ' 1' ' ' GLU . . . -53.86 -30.14 44.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.593 -179.595 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.761 HD12 ' O ' ' B' ' 0' ' ' ACE . 8.0 mt -110.71 -42.8 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.643 0.735 . . . . 0.0 109.945 179.393 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.806 ' HB2' HD13 ' A' ' 5' ' ' LEU . 5.7 ttpp -51.56 -38.26 53.53 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.332 179.703 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.59 -26.06 35.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.364 -179.593 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.473 ' HG2' ' HA ' ' B' ' 5' ' ' LEU . 0.0 OUTLIER -68.55 -24.72 64.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.774 0.321 . . . . 0.0 111.046 -179.921 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.727 HG21 ' OE1' ' A' ' 8' ' ' GLU . 48.1 t -60.01 -43.66 93.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.972 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' B' ' 14' ' ' ALA . 1.6 pp0? -53.09 -25.07 11.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 -179.904 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.81 -1.89 30.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.811 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.625 HD11 HG13 ' A' ' 9' ' ' VAL . 0.4 OUTLIER -113.12 -38.66 4.4 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.699 0.285 . . . . 0.0 111.055 -179.807 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.417 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -90.03 -25.18 20.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.728 -179.376 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' B' ' 10' ' ' GLN . . . -58.17 -55.84 29.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.851 0.358 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.578 ' HG3' HD21 ' B' ' 19' ' ' LEU . 4.5 tpp180 -76.75 -49.31 16.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.611 179.845 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.902 ' OD1' HD12 ' A' ' 19' ' ' LEU . 32.6 t30 -50.95 -42.84 60.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.183 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -54.47 -38.29 66.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.714 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.54 -44.92 56.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.961 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.767 ' HB3' HG21 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -61.9 -57.47 11.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.036 179.701 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.528 ' HG3' HD11 ' A' ' 19' ' ' LEU . 6.8 tttt -42.27 -30.92 0.34 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.703 179.826 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -87.87 -40.31 14.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.742 -179.417 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.499 ' HG3' ' HA ' ' B' ' 19' ' ' LEU . 0.1 OUTLIER -90.47 -0.38 57.64 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -178.885 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.758 HG23 ' O ' ' B' ' 19' ' ' LEU . 35.7 t -48.86 -64.08 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.853 0.358 . . . . 0.0 111.001 -179.624 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.92 -34.88 78.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.749 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.84 -31.09 68.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.815 ' CD1' HG13 ' A' ' 23' ' ' VAL . 75.2 mt -72.26 -62.54 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.746 179.81 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.578 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -57.44 -27.15 62.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.812 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -66.25 0.54 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.921 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.01 173.34 6.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.54 -123.55 5.01 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.51 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 O-C-N 122.723 -0.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -78.89 100.98 7.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.317 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 37.1 t -90.04 -67.02 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.07 -29.73 22.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.328 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.12 -22.34 66.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.069 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.6 HD13 ' HB2' ' B' ' 6' ' ' LYS . 6.9 mt -99.26 -42.23 7.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.999 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.471 ' HG2' HD13 ' B' ' 5' ' ' LEU . 23.5 mt-10 -57.29 -45.37 84.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.135 -179.804 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -73.99 -31.06 62.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.043 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.586 ' HG2' HG11 ' B' ' 9' ' ' VAL . 39.1 tt0 -59.53 -24.24 63.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.074 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.661 ' CG2' HG22 ' B' ' 9' ' ' VAL . 79.1 t -78.51 -59.53 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.615 179.742 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.94 -25.65 12.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.956 0.407 . . . . 0.0 110.958 179.583 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -68.58 -41.05 80.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.818 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.47 HD12 HG13 ' B' ' 9' ' ' VAL . 16.0 mt -92.02 -38.21 12.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.244 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -54.47 -24.54 20.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.125 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.03 -36.97 14.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -84.67 -54.55 4.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.961 -179.907 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' LEU . 35.1 t30 -48.42 -33.07 8.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -81.41 -43.31 19.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.965 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -28.99 65.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.247 -179.671 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.861 ' O ' HG23 ' A' ' 23' ' ' VAL . 22.9 mt -89.3 -45.49 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.176 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.0 -28.26 2.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.308 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -91.17 -30.33 16.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -83.46 -22.88 32.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.083 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 19' ' ' LEU . 11.4 t -86.84 -30.7 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.113 -179.922 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.96 -29.48 68.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.334 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -89.81 -38.86 13.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.166 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.435 HD22 ' HB3' ' B' ' 27' ' ' ARG . 66.5 mt -57.42 -67.12 0.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.077 -179.849 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.659 ' HB3' HD22 ' B' ' 26' ' ' LEU . 2.5 pt-20 -88.03 58.12 4.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -79.96 -66.0 0.93 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -81.6 -31.2 32.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.12 -168.27 0.22 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.525 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 O-C-N 122.752 -0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.63 ' O ' HD12 ' B' ' 5' ' ' LEU . . . . . . . . 0 C--O 1.23 0.048 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.694 ' N ' ' HB3' ' B' ' 4' ' ' ALA . 0.4 OUTLIER -85.65 -163.4 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.769 0.319 . . . . 0.0 111.004 . . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.481 HG23 ' H ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -42.73 -86.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.849 -179.545 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.481 ' H ' HG23 ' B' ' 2' ' ' VAL . 42.3 mt-30 -54.65 -26.98 36.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.712 0.292 . . . . 0.0 111.507 -179.577 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.694 ' HB3' ' N ' ' B' ' 1' ' ' GLU . . . -68.67 -28.11 66.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.464 -179.682 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.637 HD23 ' HG2' ' B' ' 8' ' ' ARG . 9.6 mt -110.78 -44.94 3.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.708 0.766 . . . . 0.0 109.799 179.455 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.6 ' HB2' HD13 ' A' ' 5' ' ' LEU . 1.9 ttpp -45.74 -32.52 2.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.442 -1.254 . . . . 0.0 111.491 179.524 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.19 -18.35 25.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.86 -179.242 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.637 ' HG2' HD23 ' B' ' 5' ' ' LEU . 0.0 OUTLIER -81.19 -25.6 36.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.596 0.236 . . . . 0.0 111.479 -179.457 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.661 HG22 ' CG2' ' A' ' 9' ' ' VAL . 60.9 t -64.99 -39.41 85.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.829 0.347 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.545 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -59.22 -18.95 41.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.186 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.21 12.06 16.99 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -179.67 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.458 HD12 HD12 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -121.64 -51.12 2.06 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.006 0.431 . . . . 0.0 110.701 179.709 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -78.74 -22.35 46.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.49 -179.702 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' B' ' 10' ' ' GLN . . . -57.33 -53.38 58.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.327 . . . . 0.0 111.3 -179.85 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -86.78 -34.2 19.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.028 -179.883 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.57 ' OD1' HD12 ' A' ' 19' ' ' LEU . 29.0 t30 -62.46 -44.6 96.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 -179.814 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -54.77 -29.36 53.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.127 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.7 -50.52 15.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.048 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.738 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.9 OUTLIER -62.02 -55.82 25.3 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.625 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.494 ' HD2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -42.64 -29.58 0.3 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.618 179.831 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -85.59 -40.11 16.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.718 -179.396 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.459 ' CD ' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -90.37 -8.96 49.37 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -178.721 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 19' ' ' LEU . 13.4 t -43.63 -54.86 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 120.837 0.351 . . . . 0.0 111.372 -179.281 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -67.68 -34.71 77.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.79 -29.23 70.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.254 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.663 HD12 HG13 ' A' ' 23' ' ' VAL . 48.7 mt -76.78 -59.59 2.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.435 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -57.83 -37.3 73.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.998 -179.943 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -76.23 -72.45 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.64 137.08 40.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.57 -177.54 42.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.526 179.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 O-C-N 122.767 -0.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_