data_2kdl_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 2kdl _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 ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 CA--C 1.515 -0.382 0 CA-C-O 121.505 0.669 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.412 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -45.22 -36.75 4.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.33 179.164 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -72.83 -40.95 65.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.221 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.455 ' CB ' ' CZ3' ' A' ' 43' ' ' TRP . . . -67.72 -46.2 72.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.738 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.412 ' CG ' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -68.85 -51.51 39.63 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.151 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -49.46 -37.06 24.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.943 0.401 . . . . 0.0 110.594 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -70.7 -33.11 70.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.273 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.41 -43.48 79.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.879 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.444 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 4.2 mp -71.7 -51.21 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.432 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HA ' HG21 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -54.6 -48.74 71.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.617 179.786 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -57.27 -44.09 83.63 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.415 ' CD2' ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -64.49 -31.67 72.98 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 177.572 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 17' ' ' ILE . 29.9 t -73.5 -35.2 44.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.693 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -86.0 -26.47 25.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.832 0.348 . . . . 0.0 111.217 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.56 -60.33 1.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.264 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.8 68.12 1.3 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.327 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -121.83 -170.94 2.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.122 0.487 . . . . 0.0 111.378 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.34 99.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.168 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.442 ' O ' ' CG2' ' A' ' 30' ' ' ILE . 1.0 OUTLIER -56.32 -28.93 60.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.988 -179.713 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.02 -34.68 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.129 0.49 . . . . 0.0 110.337 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.447 ' CG ' HG12 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -72.33 -41.03 66.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.382 179.193 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.526 HG23 ' N ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -60.11 -32.11 49.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.336 0.588 . . . . 0.0 109.43 178.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.526 ' N ' HG23 ' A' ' 30' ' ' ILE . 3.8 ttpp -68.65 -31.6 70.85 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.537 178.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.68 -31.99 72.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.612 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -74.77 -29.79 23.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.042 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.433 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -51.3 -27.66 10.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.065 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.49 -13.72 25.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.276 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.83 132.85 11.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.421 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -104.61 -31.23 9.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.684 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.0 p -96.35 138.51 33.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.707 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.2 m -55.83 -40.43 61.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.296 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.35 -42.52 79.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.25 -30.03 63.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.458 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -80.39 -50.68 17.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.765 0.317 . . . . 0.0 110.486 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.465 ' CD1' ' CE ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -58.07 -31.99 67.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.135 0.493 . . . . 0.0 110.486 179.377 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.3 m -73.48 -42.01 62.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.287 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 mt -57.74 -50.89 71.73 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.311 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' CE ' ' CD1' ' A' ' 43' ' ' TRP . 2.1 pttp -61.57 -51.85 66.87 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.015 0.436 . . . . 0.0 110.726 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -64.15 -32.42 73.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.711 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -57.9 -34.7 70.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.39 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.447 HG12 ' CG ' ' A' ' 29' ' ' TYR . 1.2 mt -77.26 -33.93 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.387 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -57.3 -32.67 66.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.641 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.907 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 CA--C 1.515 -0.399 0 CA-C-O 121.447 0.641 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.25 -36.4 2.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.509 179.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -78.32 -39.9 38.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.141 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.457 ' CB ' ' CZ3' ' A' ' 43' ' ' TRP . . . -65.61 -48.18 73.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.728 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -43.66 77.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.655 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -51.17 -39.63 56.8 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.489 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -33.2 65.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.445 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.56 -47.39 70.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.182 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.465 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 4.1 mp -74.16 -51.42 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.728 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.26 -49.02 67.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.81 -43.85 90.67 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -64.49 -31.04 72.09 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.687 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 17' ' ' ILE . 25.2 t -74.16 -35.51 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.982 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.94 -18.08 60.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.3 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.66 -71.35 0.62 Allowed 'General case' 0 C--O 1.238 0.46 0 CA-C-O 120.992 0.425 . . . . 0.0 111.334 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.571 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 136.92 -87.77 0.22 Allowed Glycine 0 N--CA 1.452 -0.267 0 N-CA-C 111.611 -0.596 . . . . 0.0 111.611 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.409 HG21 ' CG2' ' A' ' 49' ' ' ILE . 0.6 OUTLIER 46.93 179.18 0.01 OUTLIER 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 179.242 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.69 107.67 1.01 Allowed 'General case' 0 C--O 1.222 -0.368 0 CA-C-O 121.21 0.529 . . . . 0.0 110.682 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 3.5 mt-10 -64.8 -29.36 70.32 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.868 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -42.32 -34.8 0.85 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.074 0.464 . . . . 0.0 110.476 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.479 ' CG ' HG12 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -67.75 -43.69 79.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.498 179.422 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -56.22 -31.92 33.42 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.086 0 CA-C-O 121.327 0.584 . . . . 0.0 109.476 178.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.491 ' N ' HG22 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -67.52 -31.39 71.47 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.298 178.292 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -31.81 69.09 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.811 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 30' ' ' ILE . 0.9 OUTLIER -73.8 -29.7 26.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.365 -179.568 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.421 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -50.84 -27.15 6.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 111.243 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -109.46 -2.8 17.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.262 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 37' ' ' LYS . . . -35.8 -37.21 0.09 Allowed 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 36' ' ' ALA . 1.1 mmmm 66.19 -66.37 0.17 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.836 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 p -72.6 133.95 44.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.6 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 t -54.9 -52.47 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.564 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.15 -39.41 82.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.193 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.76 -27.53 68.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.828 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.403 HG21 ' CB ' ' A' ' 36' ' ' ALA . 0.4 OUTLIER -79.34 -50.6 17.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.86 0.362 . . . . 0.0 110.764 -179.805 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.457 ' CZ3' ' CB ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -54.5 -32.79 58.66 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.4 179.543 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 48' ' ' GLU . 82.1 p -73.54 -51.37 17.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.166 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.446 ' CD1' ' HA ' ' A' ' 33' ' ' ILE . 19.3 mt -47.62 -51.36 21.59 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.692 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.426 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -63.65 -46.47 85.48 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.174 0.512 . . . . 0.0 110.516 179.592 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -67.85 -24.58 65.28 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.344 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' THR . 2.1 tt0 -71.68 -31.13 66.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.988 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.479 HG12 ' CG ' ' A' ' 29' ' ' TYR . 1.1 mt -78.63 -37.46 20.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.872 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -26.4 60.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.99 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.7 p . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.898 179.824 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 CA--C 1.516 -0.346 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.16 -36.64 3.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.265 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -65.92 -47.4 74.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.116 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.438 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -67.23 -45.33 77.09 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.62 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -60.99 -51.48 69.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.554 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -62.33 -33.3 74.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.453 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -76.52 -33.3 58.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.032 0.444 . . . . 0.0 110.347 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.41 90.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.859 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.421 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 1.2 mm -72.23 -49.62 41.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.235 0.54 . . . . 0.0 110.352 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HA ' HG23 ' A' ' 21' ' ' VAL . 15.6 tttt -54.12 -48.71 70.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.608 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -44.0 82.53 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -64.7 -33.16 75.3 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.7 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 17' ' ' ILE . 34.6 t -71.43 -35.22 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.705 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.73 -17.9 62.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.74 -77.22 0.51 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.429 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.532 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 144.97 -83.0 0.2 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.175 -179.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 24' ' ' GLY . 0.6 OUTLIER 46.92 179.26 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.007 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.97 97.36 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.002 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.432 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 1.7 pt-20 -54.54 -28.72 47.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.329 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.34 -45.24 4.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.949 0.404 . . . . 0.0 110.751 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.433 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -63.09 -41.34 99.38 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.218 0.532 . . . . 0.0 109.721 178.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.432 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -54.5 -43.18 62.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.574 178.693 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.49 -31.35 67.77 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.715 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -33.61 75.92 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.351 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.46 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -73.99 -29.95 26.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.418 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -50.68 -26.26 5.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.529 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -99.88 -3.16 33.09 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 111.491 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.402 ' CB ' HG23 ' A' ' 42' ' ' VAL . . . -54.04 134.26 43.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.859 0.362 . . . . 0.0 111.306 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -102.14 -28.49 12.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.065 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.4 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 36.4 p -110.45 143.56 40.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.751 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.419 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 21.4 m -53.16 -45.69 54.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.334 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -55.89 -52.78 62.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.334 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.18 -28.15 48.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.733 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.402 HG23 ' CB ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -84.33 -45.98 17.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.894 0.378 . . . . 0.0 110.692 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.438 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 79.8 m95 -63.42 -30.56 71.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.772 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.0 t -78.72 -40.74 32.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.285 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 33' ' ' ILE . 61.9 mt -58.59 -51.86 68.13 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.068 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -44.57 90.4 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.948 0.404 . . . . 0.0 110.661 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -69.16 -24.74 64.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.139 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -71.99 -32.96 67.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.433 ' CD1' ' HB3' ' A' ' 29' ' ' TYR . 1.4 mt -77.97 -38.62 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.987 0.423 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -75.89 -29.23 58.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.803 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 CA--C 1.514 -0.424 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -44.4 -36.86 3.06 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.05 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -61.07 -47.52 85.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.711 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.487 ' CB ' ' CZ3' ' A' ' 43' ' ' TRP . . . -68.15 -45.06 74.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.258 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -56.86 -48.93 76.95 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.703 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.53 -34.15 68.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.576 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -71.75 -43.0 66.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.638 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.39 -49.24 67.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.443 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 2.2 tp -63.5 -49.08 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.421 ' HA ' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -55.03 -48.89 72.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.792 179.871 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -57.59 -43.85 84.94 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -63.94 -33.57 76.01 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.543 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.443 ' CG2' ' O ' ' A' ' 17' ' ' ILE . 38.9 t -70.5 -35.31 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.487 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -72.71 -23.22 60.83 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.87 -76.08 0.58 Allowed 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.33 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.481 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 141.36 -73.9 0.37 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.149 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 t 42.0 -165.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.67 103.12 8.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.632 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 30' ' ' ILE . 2.3 mt-10 -56.59 -31.03 63.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.229 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.31 -35.28 1.44 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.211 0.529 . . . . 0.0 110.784 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.475 ' CG ' HG12 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -69.66 -42.77 73.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.328 179.534 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.504 HG23 ' N ' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -56.29 -31.83 33.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.88 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.504 ' N ' HG23 ' A' ' 30' ' ' ILE . 36.8 ttpt -68.83 -31.64 70.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.28 178.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.83 -32.01 72.26 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.716 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -75.93 -29.86 20.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 -179.724 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.429 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -53.33 -25.19 14.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.139 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.63 -3.09 33.92 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.407 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.92 134.85 37.31 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.914 0.387 . . . . 0.0 111.114 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.52 -30.6 11.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.592 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.8 p -99.98 140.34 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.426 HG12 ' CE3' ' A' ' 43' ' ' TRP . 49.0 t -56.07 -48.36 79.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.96 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.86 -41.03 99.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.53 -30.95 59.64 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.595 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.92 -51.55 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.818 0.342 . . . . 0.0 110.832 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.487 ' CZ3' ' CB ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -57.39 -37.6 72.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.747 179.703 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 48' ' ' GLU . 50.7 p -67.88 -42.88 80.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.204 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.435 ' CD1' ' HA ' ' A' ' 33' ' ' ILE . 75.9 mt -55.37 -49.61 71.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.622 0.248 . . . . 0.0 111.152 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.457 ' CE ' ' CD1' ' A' ' 43' ' ' TRP . 6.2 pttp -66.68 -50.4 62.99 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.246 0.546 . . . . 0.0 110.68 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.92 -24.64 67.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.011 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' THR . 47.6 tt0 -70.63 -38.82 73.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.475 HG12 ' CG ' ' A' ' 29' ' ' TYR . 1.3 mt -69.04 -38.57 78.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.328 . . . . 0.0 110.739 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -26.48 60.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.086 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.7 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.968 179.918 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 9' ' ' LEU . 2.9 mm? . . . . . 0 CA--C 1.515 -0.394 0 CA-C-O 121.447 0.642 . . . . 0.0 109.443 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.56 -36.85 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.38 179.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -73.4 -41.63 63.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.205 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.44 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -68.9 -45.51 70.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.664 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -67.18 -51.58 51.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.668 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -49.1 -41.66 36.41 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.62 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -70.35 -33.21 71.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.48 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.99 -45.25 71.39 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.975 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.433 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 4.2 mp -73.11 -51.26 27.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.993 0.425 . . . . 0.0 110.61 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -53.33 -48.72 68.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.771 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.71 -43.44 85.22 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -65.34 -31.12 72.08 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 177.705 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 17' ' ' ILE . 26.1 t -73.96 -35.32 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.873 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -86.42 -18.78 30.89 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.62 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.78 -59.01 2.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.59 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.71 118.46 2.84 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.347 -0.93 . . . . 0.0 111.66 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.436 ' CG2' ' CG2' ' A' ' 49' ' ' ILE . 15.3 t -170.85 -166.88 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.319 0.58 . . . . 0.0 111.364 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.74 88.23 0.06 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.144 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 7.0 pt-20 -47.51 -29.19 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.929 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -46.89 -38.09 9.9 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.047 0.451 . . . . 0.0 110.477 179.672 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.437 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -60.0 -35.08 74.27 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.166 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.556 ' HA ' HG22 ' A' ' 33' ' ' ILE . 2.0 mm -68.86 -33.88 61.53 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.741 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 2.7 tptt -56.59 -31.14 63.97 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -38.78 58.93 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.757 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.556 HG22 ' HA ' ' A' ' 30' ' ' ILE . 0.7 OUTLIER -58.46 -29.69 39.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-O 120.624 0.25 . . . . 0.0 111.294 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.484 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -41.66 -44.74 3.22 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.228 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.19 -30.72 11.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.089 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 37.66 -93.02 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.059 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.2 pttt 163.67 -33.72 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.251 0.548 . . . . 0.0 109.684 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -168.3 -174.91 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.953 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 t -59.21 -50.41 79.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.011 0.434 . . . . 0.0 110.788 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -67.43 -35.98 80.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.893 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.44 -34.92 64.37 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.3 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.402 ' CG1' ' HB ' ' A' ' 33' ' ' ILE . 1.5 t -76.3 -47.99 29.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.995 0.426 . . . . 0.0 110.24 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.44 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 42.0 m95 -54.93 -28.76 53.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.458 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 48' ' ' GLU . 38.1 m -76.28 -54.5 6.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.433 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.423 ' CB ' HG21 ' A' ' 33' ' ' ILE . 4.5 mm? -47.3 -54.52 10.81 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.616 0.246 . . . . 0.0 111.439 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.412 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -60.5 -55.14 37.04 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.925 0.393 . . . . 0.0 110.521 179.654 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -58.2 -24.67 59.94 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.224 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -70.97 -30.5 66.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.481 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 29' ' ' TYR . 2.5 mt -76.65 -38.03 30.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.9 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.74 -40.73 24.74 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.644 -0.423 . . . . 0.0 111.104 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.92 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 CA--C 1.513 -0.479 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.94 -36.56 2.48 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.953 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -71.73 -48.1 49.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.829 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.437 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . . . -58.88 -49.54 77.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.668 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -51.86 58.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.749 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.86 -41.98 62.28 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.796 0.331 . . . . 0.0 110.591 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.448 ' HA ' ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -61.1 -33.9 74.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.226 179.553 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.29 -44.32 97.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.102 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.402 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 4.2 mp -74.63 -51.12 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.294 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' HA ' HG23 ' A' ' 21' ' ' VAL . 6.0 pttt -55.94 -48.74 75.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.764 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.434 ' N ' ' CG ' ' A' ' 18' ' ' LYS . 5.5 mm-40 -57.74 -43.97 85.72 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -63.12 -36.85 84.96 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 177.521 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.465 HG23 ' HA ' ' A' ' 18' ' ' LYS . 48.3 t -64.25 -35.31 73.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.907 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.71 -19.68 61.36 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.092 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.0 -81.37 0.53 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.703 0.287 . . . . 0.0 111.473 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.487 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 148.23 -75.96 0.26 Allowed Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.263 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.407 ' OG1' ' CG2' ' A' ' 49' ' ' ILE . 2.7 t 42.49 -167.48 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.104 0.478 . . . . 0.0 112.256 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.03 94.28 4.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.734 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.48 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -52.92 -29.21 27.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.256 -179.625 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -45.29 -38.13 5.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.126 0.489 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.461 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -60.49 -41.34 94.05 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.057 179.29 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.456 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.5 OUTLIER -62.05 -41.61 91.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.897 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -31.04 16.46 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tp -75.67 -31.79 59.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.953 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.521 HG23 ' HB2' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -62.83 -29.87 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 120.798 0.333 . . . . 0.0 110.825 -179.799 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.447 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.63 -32.05 58.3 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.992 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.98 -2.91 33.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.067 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.438 ' CB ' HG21 ' A' ' 42' ' ' VAL . . . -35.71 -36.87 0.08 Allowed 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? 69.28 -66.35 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.77 142.99 29.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.693 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.4 m -56.13 -46.31 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.18 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -60.96 -44.5 97.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.09 -27.75 57.69 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.656 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.438 HG21 ' CB ' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -77.76 -50.16 20.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.873 0.368 . . . . 0.0 110.604 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.437 ' CZ2' ' HA ' ' A' ' 12' ' ' ALA . 93.4 m95 -57.8 -29.78 65.17 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.671 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.8 m -74.77 -49.35 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.163 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.521 ' HB2' HG23 ' A' ' 33' ' ' ILE . 37.4 mt -52.77 -53.97 40.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.518 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.438 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.04 -55.6 30.81 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 110.951 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.2 -33.04 71.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.044 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -56.97 -43.51 81.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.428 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 29' ' ' TYR . 1.0 OUTLIER -66.79 -35.19 74.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.281 179.443 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -65.19 -32.26 73.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.483 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.3 m . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.939 179.71 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 CA--C 1.516 -0.345 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.7 -36.66 5.13 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.447 179.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -63.69 -42.64 97.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.272 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.417 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -78.06 -42.63 31.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.808 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -60.51 -48.73 80.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.8 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.69 -37.13 86.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.712 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.479 ' HA ' ' HG2' ' A' ' 18' ' ' LYS . 1.3 tt0 -73.73 -33.22 64.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.95 76.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.506 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 tp -67.15 -51.38 54.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.7 0.286 . . . . 0.0 111.421 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.519 ' HA ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -61.1 -40.42 93.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.849 179.583 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -57.85 -45.37 86.35 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 178.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.483 ' CD2' ' HA ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -61.81 -36.12 80.2 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 177.041 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.519 HG23 ' HA ' ' A' ' 18' ' ' LYS . 39.9 t -69.59 -35.0 64.12 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.05 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -75.06 -28.09 60.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.151 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.75 -71.6 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.298 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.19 75.06 0.91 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.248 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -126.0 -171.04 2.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.036 0.446 . . . . 0.0 111.267 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.59 95.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.021 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.483 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 6.9 pm0 -54.06 -29.54 44.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.209 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.53 -32.96 1.01 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.132 0.492 . . . . 0.0 110.35 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.469 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -73.02 -42.97 62.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.298 179.113 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.507 HG22 ' N ' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -56.53 -31.92 35.32 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.072 0 CA-C-O 121.334 0.588 . . . . 0.0 109.467 178.772 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.507 ' N ' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -70.49 -31.6 68.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.335 178.164 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.28 -31.94 70.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.474 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 30' ' ' ILE . 0.9 OUTLIER -74.52 -29.82 24.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.288 -179.751 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.41 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -53.3 -26.06 17.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.813 0.339 . . . . 0.0 111.082 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.24 -2.75 17.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.419 ' CB ' HG21 ' A' ' 42' ' ' VAL . . . -40.64 -30.82 0.13 Allowed 'General case' 0 C--O 1.231 0.12 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt 65.47 -73.83 0.06 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.777 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.7 p -66.71 125.27 25.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.541 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.411 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 10.9 m -48.16 -45.71 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.407 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -53.1 61.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.351 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -53.64 -25.43 28.58 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.937 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.438 ' CG1' ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -76.98 -52.12 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 0.0 110.831 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.417 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 85.9 m95 -55.9 -28.47 56.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.798 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' GLU . 3.5 m -76.1 -47.46 24.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 33' ' ' ILE . 30.9 mt -52.7 -48.53 66.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.425 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.446 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 0.5 OUTLIER -65.87 -55.64 15.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.066 0.46 . . . . 0.0 110.664 179.631 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.35 -24.72 65.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.065 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 44' ' ' THR . 23.1 tt0 -69.68 -39.41 77.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.99 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 29' ' ' TYR . 1.7 mt -67.17 -38.67 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.602 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -31.01 72.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.827 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 CA--C 1.515 -0.399 0 CA-C-O 121.49 0.662 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -46.37 -36.98 6.94 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.316 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -67.59 -39.6 84.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.307 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.461 ' CB ' ' CZ3' ' A' ' 43' ' ' TRP . . . -76.97 -43.83 33.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.753 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.32 -49.42 76.16 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.493 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.49 -34.33 77.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.018 0.437 . . . . 0.0 110.411 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.408 ' HA ' ' HG2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -73.8 -33.17 64.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.713 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.57 -36.58 76.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.353 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 tp -72.66 -50.58 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.613 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HA ' HG22 ' A' ' 21' ' ' VAL . 2.4 ptpt -58.52 -38.27 77.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.705 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 5.0 mm-40 -63.6 -42.36 98.25 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 178.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -66.21 -36.29 82.66 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.239 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.474 HG22 ' HA ' ' A' ' 18' ' ' LYS . 44.4 t -65.4 -35.1 74.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 114.975 -1.012 . . . . 0.0 110.115 178.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.64 -18.1 60.59 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.342 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.16 -86.4 0.38 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.643 0.259 . . . . 0.0 111.579 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.475 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 156.82 -70.66 0.26 Allowed Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.232 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.411 ' OG1' ' CG2' ' A' ' 49' ' ' ILE . 3.4 t 42.41 -166.08 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.914 0.388 . . . . 0.0 111.903 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.79 96.01 6.84 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.051 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.408 ' HA ' HD21 ' A' ' 20' ' ' LEU . 1.5 mt-10 -53.65 -29.49 38.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.054 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -45.93 -35.89 5.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.185 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.499 ' CB ' HG12 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -65.04 -37.68 88.38 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 109.979 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.545 ' HA ' HG23 ' A' ' 33' ' ' ILE . 3.3 mm -62.22 -31.78 52.63 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-O 121.315 0.579 . . . . 0.0 109.68 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -65.09 -31.07 72.1 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.34 -33.09 49.35 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.921 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.545 HG23 ' HA ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -70.71 -29.73 39.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.363 -179.571 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.447 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.86 -26.35 34.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.97 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.77 -3.27 39.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.76 133.7 31.19 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.805 0.336 . . . . 0.0 111.223 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -101.59 -36.56 8.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.431 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.86 134.66 41.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.388 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.8 m -50.33 -48.72 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.266 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -37.2 75.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.0 -28.81 72.67 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.708 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -80.56 -51.02 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.692 0.282 . . . . 0.0 110.947 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.461 ' CZ3' ' CB ' ' A' ' 12' ' ' ALA . 0.8 OUTLIER -58.64 -32.04 68.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.584 179.66 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.2 m -72.56 -45.63 58.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.945 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.475 ' O ' HG13 ' A' ' 49' ' ' ILE . 12.7 mt -53.14 -49.63 66.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.477 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 6.4 pttp -65.45 -49.63 68.4 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.038 0.446 . . . . 0.0 110.537 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.51 -24.49 66.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.725 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.62 -30.16 62.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.817 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.499 HG12 ' CB ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -75.03 -38.39 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.347 . . . . 0.0 110.474 179.603 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -68.64 -27.38 65.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.798 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 CA--C 1.513 -0.47 0 CA-C-O 121.473 0.654 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.27 -37.07 6.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.023 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -72.16 -38.42 69.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.281 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.454 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -73.06 -42.33 63.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.835 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.5 tttt -73.67 -48.82 29.38 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.702 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -56.67 -43.45 80.43 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.899 0.381 . . . . 0.0 110.466 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.73 -33.34 74.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.51 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.41 -37.95 76.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.84 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.428 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 1.3 mm -73.6 -51.42 25.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.437 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -53.63 -48.67 69.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.671 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -57.56 -42.72 83.57 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.439 HD13 HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER -66.37 -30.56 70.97 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 177.744 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.428 ' CG2' ' O ' ' A' ' 17' ' ' ILE . 23.2 t -74.72 -35.22 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.984 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -91.17 -17.82 25.47 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.604 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.88 -47.89 2.94 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.83 0.308 . . . . 0.0 111.83 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.42 98.3 0.19 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.111 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.439 HG22 HD13 ' A' ' 20' ' ' LEU . 5.1 t -146.64 -167.09 2.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.22 0.533 . . . . 0.0 111.326 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.01 88.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.888 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.457 ' HA ' HG12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -53.0 -29.4 29.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.111 -179.773 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 4.3 mttt -44.69 -35.71 2.78 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.491 ' CD2' HG12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -64.68 -38.52 91.29 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.602 -0.439 . . . . 0.0 109.931 179.601 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.484 ' HA ' HG21 ' A' ' 33' ' ' ILE . 2.8 mm -59.22 -32.06 47.43 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 8.1 tmtt? -64.74 -31.23 72.35 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 177.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.5 -35.34 34.81 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.485 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.484 HG21 ' HA ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -73.86 -30.07 27.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.722 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.4 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -53.99 -25.45 21.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.948 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -102.15 -2.94 28.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.199 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.55 121.87 2.46 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.797 0.332 . . . . 0.0 111.646 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.84 26.22 5.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -162.38 133.53 5.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.491 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.9 t -54.22 -42.41 56.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.069 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.91 -42.05 81.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.634 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.21 -28.72 59.1 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.411 ' CG1' ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -80.45 -45.25 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.695 0.283 . . . . 0.0 110.6 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.454 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 22.8 m95 -58.66 -34.04 70.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.549 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 48' ' ' GLU . 9.5 m -74.28 -47.15 36.7 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.267 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' A' ' 33' ' ' ILE . 50.2 mt -50.64 -51.77 45.92 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.45 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 47' ' ' ASP . 9.0 pttt -63.44 -48.34 78.14 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.117 0.484 . . . . 0.0 110.484 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 46' ' ' LYS . 1.2 t70 -64.11 -24.65 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.908 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' THR . 1.7 mt-10 -71.16 -30.46 66.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.21 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.491 HG12 ' CD2' ' A' ' 29' ' ' TYR . 0.8 OUTLIER -78.84 -36.88 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.747 179.722 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -64.91 -29.81 70.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.941 0.401 . . . . 0.0 110.395 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.626 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.515 -0.366 0 CA-C-O 121.299 0.571 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.49 -37.08 3.26 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.355 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -76.02 -38.82 56.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.456 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.417 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -72.43 -43.35 63.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.189 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -61.42 -49.28 77.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.821 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.86 -34.59 77.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.684 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -78.9 -35.79 42.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.77 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.6 -49.27 75.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.409 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 2.3 tp -69.9 -48.06 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.728 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.448 ' HA ' HG23 ' A' ' 21' ' ' VAL . 47.6 tttp -54.43 -48.82 71.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.69 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -56.72 -44.41 81.59 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -63.82 -36.76 84.96 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.558 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.448 HG23 ' HA ' ' A' ' 18' ' ' LYS . 41.1 t -65.27 -35.34 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.377 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.8 -20.26 63.46 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.95 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -132.41 -80.48 0.5 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.336 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.443 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 148.96 -75.5 0.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.382 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.0 t 42.48 -165.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.871 0.367 . . . . 0.0 111.947 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.31 103.05 9.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.467 ' O ' HG22 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -57.7 -29.46 64.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.061 -179.848 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.82 -32.07 0.98 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.108 0.48 . . . . 0.0 110.29 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.476 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -73.19 -46.87 48.1 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.188 179.098 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.499 HG21 ' N ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -59.45 -35.39 58.51 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-O 121.26 0.553 . . . . 0.0 109.535 179.028 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.499 ' N ' HG21 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -63.8 -31.41 72.57 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.714 178.73 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -32.41 72.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.579 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.482 HG23 ' HA ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -72.34 -29.86 33.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.447 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -52.63 -27.47 17.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.116 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -98.75 -3.24 36.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.327 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.18 134.85 32.83 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.905 0.383 . . . . 0.0 111.275 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -102.96 -30.96 10.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.541 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.81 141.95 34.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.501 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.4 m -54.6 -48.14 71.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.301 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -59.26 -47.65 84.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.999 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -53.84 -30.36 44.4 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.582 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -78.81 -54.89 11.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.954 0.407 . . . . 0.0 110.657 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.417 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 94.3 m95 -60.05 -27.35 66.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.7 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 48' ' ' GLU . 86.1 m -72.98 -47.14 47.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.424 ' HB2' ' CG2' ' A' ' 33' ' ' ILE . 87.3 mt -57.5 -52.3 65.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.318 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -60.45 -53.38 58.31 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.016 0.436 . . . . 0.0 110.655 179.7 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -63.11 -27.97 69.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.87 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' THR . 7.4 mt-10 -61.91 -35.32 78.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.564 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 29' ' ' TYR . 0.9 OUTLIER -77.23 -34.93 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.588 179.714 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -59.85 -44.95 93.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.824 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.0 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.891 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 CA--C 1.515 -0.376 0 CA-C-O 121.443 0.639 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.4 -37.1 2.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.816 -1.083 . . . . 0.0 110.528 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -71.42 -43.12 67.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.579 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.432 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -71.41 -43.54 66.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.937 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -56.38 -42.13 77.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.004 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -68.58 -34.46 75.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.65 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.54 -35.54 53.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.808 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.73 -49.43 77.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.429 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 2.4 tp -65.29 -49.47 78.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.739 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.403 ' HA ' HG23 ' A' ' 21' ' ' VAL . 2.0 tppt? -54.13 -48.7 70.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.549 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.18 -44.57 83.66 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.453 ' CD2' ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -64.02 -32.37 73.9 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.622 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' A' ' 17' ' ' ILE . 26.4 t -72.56 -35.53 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.017 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -85.56 -23.78 27.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.267 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.87 -58.78 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.319 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.08 51.2 3.24 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.217 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.404 ' CG2' ' CG2' ' A' ' 49' ' ' ILE . 14.7 t -103.38 -170.72 1.83 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.309 0.575 . . . . 0.0 111.211 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.88 100.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.314 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.453 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 13.8 pt-20 -56.19 -29.45 60.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.107 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -43.7 -32.64 1.04 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.314 0.578 . . . . 0.0 110.329 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.441 ' CD2' HG12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -70.21 -44.41 68.69 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.566 179.386 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.523 HG23 ' N ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -60.42 -33.86 55.72 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 CA-C-O 121.109 0.48 . . . . 0.0 109.801 179.299 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.523 ' N ' HG23 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -65.23 -31.52 72.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.618 178.655 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.66 -31.71 65.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.483 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.478 HG13 ' N ' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -69.93 -29.73 41.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.244 -179.717 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.478 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -57.23 -29.53 63.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.938 0.399 . . . . 0.0 110.84 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.69 -2.88 22.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.15 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.426 ' CB ' HG23 ' A' ' 42' ' ' VAL . . . -33.82 -37.32 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 69.54 -65.98 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.706 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.1 138.64 36.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.8 t -54.88 -54.84 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.461 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -39.7 76.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.018 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.411 ' HA2' HG23 ' A' ' 44' ' ' THR . . . -58.89 -29.75 65.3 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.65 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.439 ' CG1' ' HB ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -76.41 -52.36 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.391 . . . . 0.0 110.993 -179.69 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 88.7 m95 -57.57 -33.4 68.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.325 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.411 HG23 ' HA2' ' A' ' 41' ' ' GLY . 14.0 t -75.06 -33.08 61.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.456 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.45 ' CB ' HG21 ' A' ' 33' ' ' ILE . 82.3 mt -64.22 -52.33 59.36 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.016 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.438 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -60.52 -47.84 84.4 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.225 0.536 . . . . 0.0 109.854 179.032 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.437 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 5.4 m-20 -65.47 -29.56 70.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.377 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.45 -37.35 75.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.176 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.441 HG12 ' CD2' ' A' ' 29' ' ' TYR . 1.2 mt -74.76 -35.75 37.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.629 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -60.1 -50.69 72.69 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.781 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.045 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.514 -0.43 0 CA-C-O 121.403 0.62 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -44.81 -36.68 3.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.417 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -73.07 -40.74 64.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.242 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.436 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . . . -71.59 -45.47 62.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.401 ' O ' ' CD1' ' A' ' 17' ' ' ILE . 5.0 mtpm? -69.18 -51.8 34.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.77 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -52.34 -42.26 63.74 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.054 0.454 . . . . 0.0 110.371 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.4 -33.07 70.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.355 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.57 -45.93 66.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.051 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.438 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 4.2 mp -74.86 -51.28 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-O 120.933 0.397 . . . . 0.0 110.726 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HA ' HG21 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -53.45 -49.04 68.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.685 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.29 -44.61 88.6 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.454 ' CD2' ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -63.21 -31.1 72.17 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.49 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 17' ' ' ILE . 37.4 t -73.03 -35.32 48.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.839 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -90.36 -18.09 26.13 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.506 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.36 -48.69 3.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.688 0.28 . . . . 0.0 111.486 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.2 77.62 0.69 Allowed Glycine 0 C--O 1.226 -0.366 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.134 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.404 ' CG2' ' CG2' ' A' ' 49' ' ' ILE . 5.5 t -135.55 178.41 7.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.972 0.415 . . . . 0.0 111.051 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.88 95.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.551 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 2.1 mt-10 -54.18 -28.93 43.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.578 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -35.32 1.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.164 0.506 . . . . 0.0 110.543 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.455 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -71.11 -43.01 68.5 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.334 179.029 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.504 HG21 ' N ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -60.69 -33.06 53.46 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.037 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.504 ' N ' HG21 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -66.59 -31.48 72.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.773 178.814 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tp -69.32 -31.73 70.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.807 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 30' ' ' ILE . 0.7 OUTLIER -74.59 -29.86 24.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.06 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.429 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -51.62 -30.37 21.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.906 0.384 . . . . 0.0 111.244 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.58 -3.11 50.29 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.38 134.44 45.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.818 0.342 . . . . 0.0 111.262 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.32 -30.28 9.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.989 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.96 140.54 36.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.509 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 m -54.63 -43.27 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.261 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -47.93 82.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.031 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.18 -30.34 54.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.464 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.407 ' CG1' ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -81.02 -50.34 17.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.892 0.377 . . . . 0.0 110.405 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.436 ' CZ2' ' HA ' ' A' ' 12' ' ' ALA . 83.0 m95 -61.06 -27.83 68.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.498 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.6 m -74.77 -47.15 32.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.231 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.408 ' CB ' HG21 ' A' ' 33' ' ' ILE . 48.9 mt -56.6 -52.28 65.45 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.232 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.44 -52.32 65.06 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.186 0.517 . . . . 0.0 110.528 179.526 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -63.6 -24.74 67.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.389 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.22 -29.07 64.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.199 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 29' ' ' TYR . 1.2 mt -81.07 -34.76 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.194 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -28.99 61.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.918 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.9 179.95 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 CA--C 1.516 -0.354 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.29 -36.84 2.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.509 179.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -72.14 -42.25 66.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.432 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.474 ' CB ' ' CZ3' ' A' ' 43' ' ' TRP . . . -70.41 -45.77 65.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.68 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 mtmm -60.93 -36.14 78.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.495 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -73.85 -34.05 64.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.431 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -37.53 44.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.614 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.51 -48.77 79.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.708 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.426 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 2.4 tp -63.59 -49.95 80.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.85 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HA ' HG22 ' A' ' 21' ' ' VAL . 17.1 ttpt -51.89 -48.82 63.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -58.52 -43.16 89.06 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -66.11 -29.27 69.56 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.684 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 17' ' ' ILE . 30.1 t -74.6 -35.5 38.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.092 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -90.46 -18.11 25.95 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.604 0.24 . . . . 0.0 111.428 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.42 -56.08 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 111.401 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.548 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 109.57 -82.8 0.31 Allowed Glycine 0 C--O 1.225 -0.442 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.06 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t 41.91 -166.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.79 106.1 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.625 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.48 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -61.52 -30.52 70.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.476 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.26 -32.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.079 0.466 . . . . 0.0 110.734 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.482 ' CG ' HG12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -70.72 -41.87 71.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.424 179.459 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.504 HG23 ' N ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -57.57 -31.71 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.785 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.504 ' N ' HG23 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -68.37 -31.58 71.05 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.266 178.055 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.02 -31.87 66.61 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.729 179.211 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -71.99 -29.72 34.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.351 -179.739 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.473 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.39 -30.56 52.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.022 0.439 . . . . 0.0 111.166 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.1 -3.0 26.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.172 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.433 ' CB ' HG21 ' A' ' 42' ' ' VAL . . . -38.52 -33.15 0.09 Allowed 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.82 -71.96 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.69 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.8 p -70.81 129.82 40.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.546 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.404 ' HA ' HG23 ' A' ' 42' ' ' VAL . 8.9 m -50.56 -51.61 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.684 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -46.71 83.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.203 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.75 -25.98 52.86 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.901 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.433 HG21 ' CB ' ' A' ' 36' ' ' ALA . 1.2 t -77.58 -50.16 20.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.825 0.345 . . . . 0.0 110.985 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.474 ' CZ3' ' CB ' ' A' ' 12' ' ' ALA . 0.8 OUTLIER -56.73 -33.17 66.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 48' ' ' GLU . 5.8 t -75.22 -39.43 60.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.347 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.9 mt -57.81 -51.55 69.11 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.141 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -62.36 -54.42 40.71 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.05 0.453 . . . . 0.0 110.42 179.445 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -27.89 69.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.884 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 44' ' ' THR . 7.0 mt-10 -61.53 -40.32 94.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.45 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.482 HG12 ' CG ' ' A' ' 29' ' ' TYR . 1.0 OUTLIER -70.86 -36.7 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.58 179.697 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -61.78 -29.89 70.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 CA--C 1.516 -0.348 0 CA-C-O 121.374 0.607 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.5 -37.2 2.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.486 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -71.22 -44.75 64.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.373 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.428 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -68.91 -44.38 73.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.044 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -64.63 -51.7 61.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.537 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -50.02 -43.28 50.67 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.719 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.57 -33.21 72.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.517 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.48 -48.65 68.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.451 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 4.1 mp -72.06 -50.77 34.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.856 179.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -53.02 -48.87 67.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.111 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -58.88 -43.35 90.88 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -65.72 -32.6 74.25 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 177.766 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 17' ' ' ILE . 39.2 t -70.42 -35.41 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.363 179.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -71.81 -17.93 62.13 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.982 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.89 -77.81 0.45 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.861 0.363 . . . . 0.0 111.307 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.489 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 142.17 -71.32 0.41 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.05 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t 41.69 -166.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.076 0.465 . . . . 0.0 112.169 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.25 96.97 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.859 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.443 ' O ' ' CG2' ' A' ' 30' ' ' ILE . 2.8 mt-10 -55.24 -29.13 57.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.918 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -44.57 -34.91 2.31 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.119 0.485 . . . . 0.0 110.732 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.442 ' CG ' HG12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -70.55 -41.59 72.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.223 179.421 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.543 HG22 ' N ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -58.52 -31.98 44.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 109.506 -0.554 . . . . 0.0 109.506 179.04 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.543 ' N ' HG22 ' A' ' 30' ' ' ILE . 10.5 tttt -69.46 -31.43 69.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.599 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.84 -31.78 69.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.691 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.426 HG21 ' HA ' ' A' ' 30' ' ' ILE . 0.7 OUTLIER -75.3 -29.54 21.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.253 -179.602 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.415 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -37.9 -40.08 0.42 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 111.392 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -109.74 -30.72 7.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.247 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 39.73 -112.89 0.14 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.923 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm 179.35 -40.23 0.01 OUTLIER 'General case' 0 C--O 1.231 0.106 0 CA-C-O 121.165 0.507 . . . . 0.0 110.078 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.69 -163.87 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.233 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -76.83 -54.92 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.909 0.385 . . . . 0.0 111.083 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -65.52 -30.47 71.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.4 -35.09 83.68 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.023 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 t -78.59 -46.46 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.534 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.428 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 89.6 m95 -60.01 -28.11 67.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.436 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 48' ' ' GLU . 57.8 m -78.56 -35.77 45.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.116 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 33' ' ' ILE . 8.3 mt -62.97 -51.66 66.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.068 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.412 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -64.98 -41.95 94.98 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.051 0.453 . . . . 0.0 110.359 179.362 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -71.93 -24.58 61.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.835 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -69.57 -31.47 69.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.743 -179.906 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.442 HG12 ' CG ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER -81.6 -39.14 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.76 179.785 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -29.19 67.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.73 179.778 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 CA--C 1.516 -0.348 0 CA-C-O 121.417 0.627 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -46.61 -36.82 7.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.254 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -69.12 -39.39 78.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.164 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.449 ' CB ' ' CZ3' ' A' ' 43' ' ' TRP . . . -73.7 -45.12 54.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.685 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -58.45 -51.16 71.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.655 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.31 -37.81 78.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.489 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.67 -33.98 74.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.446 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.402 ' CB ' ' CD1' ' A' ' 33' ' ' ILE . . . -60.26 -47.76 84.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.718 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.419 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 2.6 tp -73.18 -50.39 31.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.427 ' HA ' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -55.35 -48.71 73.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.474 179.665 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -56.53 -43.58 79.99 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -64.93 -33.48 76.12 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 177.698 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' A' ' 18' ' ' LYS . 34.6 t -70.82 -34.93 58.09 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.676 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.24 -24.11 27.95 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.364 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.76 -75.61 0.62 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.804 0.335 . . . . 0.0 111.193 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.54 111.37 3.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.253 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.419 HG23 HD13 ' A' ' 20' ' ' LEU . 4.7 t -162.95 -167.44 1.51 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.934 0.397 . . . . 0.0 111.121 -179.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.13 84.7 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.101 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' ILE . 5.1 pt-20 -48.62 -29.05 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.164 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 3.8 tptp -44.88 -41.26 6.97 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.479 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -62.19 -35.85 80.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.063 0.458 . . . . 0.0 109.766 179.382 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.588 ' HA ' HG21 ' A' ' 33' ' ' ILE . 3.0 mm -64.23 -31.98 55.61 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.689 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -63.84 -31.19 72.28 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.129 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tp -72.71 -32.86 66.06 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.76 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.588 HG21 ' HA ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -70.12 -29.59 40.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.223 -179.694 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.452 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.45 -29.58 50.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.903 0.382 . . . . 0.0 111.044 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -96.86 -3.24 42.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.249 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.48 132.48 13.5 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.945 0.402 . . . . 0.0 111.312 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -115.68 29.57 7.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.475 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -162.43 134.86 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.628 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.0 m -54.27 -36.6 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.155 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -75.31 -36.39 61.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.075 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.0 -28.35 73.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.562 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.11 -51.58 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.361 . . . . 0.0 110.682 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.449 ' CZ3' ' CB ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -58.28 -29.14 65.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.543 179.446 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' GLU . 24.8 p -77.33 -45.09 27.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.216 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.428 ' CB ' HG22 ' A' ' 33' ' ' ILE . 64.0 mt -54.92 -51.11 67.08 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.395 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 1.9 pttp -65.0 -51.23 62.82 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.999 0.428 . . . . 0.0 110.785 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -64.8 -24.65 67.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.014 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' THR . 12.5 mt-10 -68.12 -39.25 82.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.693 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 29' ' ' TYR . 1.3 mt -69.62 -40.42 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.679 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.74 -26.18 66.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.018 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.0 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.785 179.858 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 CA--C 1.517 -0.317 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.92 -36.55 3.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.395 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -82.34 -39.29 23.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.262 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.437 ' CB ' ' CZ3' ' A' ' 43' ' ' TRP . . . -64.75 -48.96 72.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.851 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -69.3 -51.48 36.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.759 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -48.72 -37.76 19.65 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.538 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.404 ' OE1' ' CZ2' ' A' ' 43' ' ' TRP . 4.3 mt-10 -74.68 -33.15 62.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.504 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.404 ' CB ' ' CD1' ' A' ' 33' ' ' ILE . . . -54.36 -44.93 72.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.038 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.432 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 4.0 mp -75.86 -48.27 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.787 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.448 ' HA ' HG21 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -55.99 -48.77 75.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.642 179.875 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.81 -44.52 90.83 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 178.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -61.9 -37.49 84.82 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.584 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.448 HG21 ' HA ' ' A' ' 18' ' ' LYS . 49.7 t -62.65 -35.1 68.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.74 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -67.84 -23.25 65.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.884 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -130.4 -82.34 0.54 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.79 0.328 . . . . 0.0 111.268 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.468 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 150.79 -75.03 0.25 Allowed Glycine 0 CA--C 1.517 0.184 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.112 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.415 ' CG2' HD11 ' A' ' 20' ' ' LEU . 6.0 t 40.08 -163.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.163 0.506 . . . . 0.0 112.174 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.73 101.8 6.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.463 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -58.13 -29.2 65.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.756 179.714 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.28 -30.97 5.33 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.94 0.4 . . . . 0.0 110.31 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.441 ' CD2' HG12 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -61.42 -34.92 76.21 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.719 179.072 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.555 ' HA ' HG23 ' A' ' 33' ' ' ILE . 2.7 mm -70.58 -31.86 47.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.697 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -59.51 -30.97 68.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.335 178.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.06 -36.0 41.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.977 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.555 HG23 ' HA ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -65.65 -29.53 47.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.444 -179.693 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.46 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -41.13 -43.22 2.21 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.907 0.384 . . . . 0.0 111.051 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -106.07 -30.7 9.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.061 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 38.67 -94.57 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.084 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 164.44 -33.83 0.0 OUTLIER 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.078 0.466 . . . . 0.0 109.901 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.11 175.11 11.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.249 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.3 m -54.75 -47.33 74.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 111.052 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -69.32 -40.38 77.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.84 -34.87 57.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.188 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.402 ' CG1' ' HB ' ' A' ' 33' ' ' ILE . 1.7 t -74.11 -49.97 30.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.95 0.405 . . . . 0.0 110.112 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.437 ' CZ3' ' CB ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -56.38 -29.83 61.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.143 179.101 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' GLU . 56.3 m -69.27 -54.17 16.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.3 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.424 ' CB ' ' CG2' ' A' ' 33' ' ' ILE . 4.4 mm? -51.41 -54.39 27.14 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.648 0.261 . . . . 0.0 111.362 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.412 ' HE2' ' CD1' ' A' ' 43' ' ' TRP . 7.5 pttt -60.63 -55.16 36.62 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.853 0.359 . . . . 0.0 111.353 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.94 -32.93 73.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.879 0.371 . . . . 0.0 111.029 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -58.42 -33.81 70.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.178 179.801 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.441 HG12 ' CD2' ' A' ' 29' ' ' TYR . 2.0 mt -76.38 -32.73 22.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.587 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -69.18 -49.38 57.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.787 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.158 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 CA--C 1.516 -0.339 0 CA-C-O 121.361 0.6 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -36.98 4.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.287 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -66.26 -42.76 88.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.359 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.43 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -74.82 -42.99 56.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.878 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -62.89 -48.51 78.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.37 -45.35 93.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.31 -35.71 81.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.47 94.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.445 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -77.46 -41.85 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.586 179.888 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.466 ' HA ' HG23 ' A' ' 21' ' ' VAL . 34.4 tttm -63.2 -48.88 76.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.363 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -56.75 -45.61 81.92 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.447 ' CD1' HD11 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -59.37 -34.52 72.5 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.397 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.466 HG23 ' HA ' ' A' ' 18' ' ' LYS . 60.2 t -67.05 -35.41 74.48 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.475 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.95 -22.43 27.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.68 -70.7 0.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.401 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.7 90.71 2.03 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.177 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 t -149.81 -171.21 3.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.955 0.407 . . . . 0.0 110.975 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.44 87.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.334 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -49.64 -28.86 6.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.052 179.754 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.439 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -43.66 -38.59 3.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.977 0.418 . . . . 0.0 111.08 179.774 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.455 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -59.93 -37.77 80.45 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.588 ' HA ' HG21 ' A' ' 33' ' ' ILE . 2.3 mm -63.98 -33.05 59.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.798 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 10.4 tptm -60.69 -31.24 70.5 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -31.64 61.58 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.534 178.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.588 HG21 ' HA ' ' A' ' 30' ' ' ILE . 0.5 OUTLIER -70.35 -29.53 39.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.676 -179.384 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.487 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.88 -33.14 61.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.954 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -99.69 -2.8 34.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.996 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.426 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -35.87 -35.4 0.06 Allowed 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 36' ' ' ALA . 6.7 mttm 66.68 -66.26 0.19 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.175 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 36' ' ' ALA . 0.4 OUTLIER -78.6 133.91 37.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.562 179.471 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.7 t -54.71 -49.81 65.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.493 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -47.4 82.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.179 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.46 -28.74 51.79 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.789 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.446 ' CG1' ' HB ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -74.38 -49.66 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.719 -179.866 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.43 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 72.6 m95 -56.18 -28.78 59.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -75.09 -53.5 8.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.297 -179.717 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.491 ' CB ' HG22 ' A' ' 33' ' ' ILE . 91.4 mt -48.14 -49.12 33.39 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.332 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.435 ' HA ' HD11 ' A' ' 49' ' ' ILE . 6.6 ttmt -63.06 -55.55 24.53 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.164 0.507 . . . . 0.0 110.298 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -24.57 65.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.206 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' THR . 3.8 tm-20 -66.65 -46.71 74.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.765 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 29' ' ' TYR . 1.1 mt -63.69 -43.23 98.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.725 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -26.35 66.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.131 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.6 p . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.197 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 CA--C 1.516 -0.358 0 CA-C-O 121.415 0.626 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.52 -36.91 4.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.487 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -71.29 -38.89 71.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.328 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.472 ' CB ' ' CZ3' ' A' ' 43' ' ' TRP . . . -74.39 -44.12 53.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.869 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -56.84 -51.29 69.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.83 -34.72 79.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.634 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.93 -43.79 82.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.71 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.2 -40.82 86.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.459 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -77.77 -42.34 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.558 179.679 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.423 ' HA ' HG23 ' A' ' 21' ' ' VAL . 16.9 ttpp -61.74 -48.72 79.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.394 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.78 -45.3 90.11 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 24' ' ' GLY . 0.4 OUTLIER -60.56 -35.29 75.69 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.673 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.459 ' CG2' ' O ' ' A' ' 17' ' ' ILE . 64.0 t -63.15 -35.33 71.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.868 178.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.23 -22.73 64.77 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.012 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -132.41 -83.28 0.49 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.548 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.578 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 151.77 -78.3 0.21 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.025 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER 42.75 -174.37 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.289 0.566 . . . . 0.0 112.224 179.289 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.46 97.63 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.151 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.417 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 14.4 tt0 -56.76 -29.3 62.47 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.668 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -46.15 -38.22 7.94 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.006 0.432 . . . . 0.0 111.125 179.824 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.436 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -57.61 -36.66 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.174 0.511 . . . . 0.0 109.863 179.122 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.479 ' HA ' HG21 ' A' ' 33' ' ' ILE . 2.5 mm -65.63 -39.84 86.18 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.547 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 11.0 tptm -51.53 -30.99 22.42 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.34 -31.88 60.71 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.81 178.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.526 HG23 ' HB2' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -63.47 -29.86 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.033 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.474 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -57.43 -35.94 70.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 110.765 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.8 -2.81 57.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.121 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.12 -31.73 0.14 Allowed 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.51 -70.49 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.918 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.425 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 76.0 p -79.63 -179.46 6.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.359 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.8 m -88.79 -46.29 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 111.392 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.4 -45.82 87.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.281 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.88 -28.01 57.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.965 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.436 ' CG1' ' HB ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -76.77 -52.88 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.324 . . . . 0.0 110.825 -179.859 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.472 ' CZ3' ' CB ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -56.68 -29.29 62.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.747 179.719 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.1 m -73.61 -48.96 28.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.249 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.526 ' HB2' HG23 ' A' ' 33' ' ' ILE . 70.0 mt -53.89 -52.14 61.47 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.489 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.41 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 4.0 pttp -61.41 -53.2 59.61 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.891 0.377 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.69 -30.27 71.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.51 -34.53 75.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.452 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.436 ' CD1' ' HB3' ' A' ' 29' ' ' TYR . 1.4 mt -76.46 -33.77 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.708 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -66.65 -40.81 88.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.1 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.977 -179.912 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 CA--C 1.516 -0.352 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.7 -36.56 3.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.959 178.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -74.32 -42.13 59.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.146 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.479 ' CB ' ' CZ3' ' A' ' 43' ' ' TRP . . . -64.67 -46.24 83.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.637 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -63.32 -40.98 98.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.507 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -70.13 -34.11 72.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.132 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.408 ' OE1' ' CZ2' ' A' ' 43' ' ' TRP . 25.1 tt0 -76.95 -35.2 57.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.45 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.19 -49.32 78.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.617 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.7 tp -67.09 -47.47 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.11 0.481 . . . . 0.0 110.571 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.492 ' HA ' HG22 ' A' ' 21' ' ' VAL . 8.8 ttmm -54.08 -48.7 70.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.705 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -58.26 -44.46 88.38 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 24' ' ' GLY . 0.4 OUTLIER -61.66 -38.08 86.42 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.528 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.492 HG22 ' HA ' ' A' ' 18' ' ' LYS . 44.3 t -62.53 -35.19 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.196 179.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -70.87 -20.2 62.55 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.03 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.89 -83.86 0.55 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.494 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 153.62 -79.97 0.19 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.293 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.453 ' CG2' HD12 ' A' ' 20' ' ' LEU . 5.8 t 40.33 -163.6 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.74 109.51 14.22 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.553 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.478 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 2.1 pp20? -63.0 -28.6 70.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.233 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -47.23 -28.81 2.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.047 0.451 . . . . 0.0 110.184 179.239 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.474 ' CG ' HG12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -62.63 -36.53 83.1 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.864 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.506 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.1 mp -62.96 -40.76 90.19 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 177.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -53.71 -31.04 46.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.443 178.321 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.92 -31.99 45.46 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.061 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 30' ' ' ILE . 0.9 OUTLIER -75.26 -29.8 21.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.522 -179.42 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.437 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -55.12 -29.29 57.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 110.939 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -105.84 -2.79 22.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.158 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.417 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -37.63 -33.37 0.07 Allowed 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? 67.04 -70.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.807 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -73.47 137.37 44.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.579 179.652 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.1 m -53.62 -46.66 61.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.508 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.85 -45.46 94.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.122 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.28 -24.84 53.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.817 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.417 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -83.32 -53.11 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.916 0.389 . . . . 0.0 110.785 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.479 ' CZ3' ' CB ' ' A' ' 12' ' ' ALA . 0.8 OUTLIER -58.95 -31.76 69.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.798 179.851 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' GLU . 15.1 t -76.14 -40.58 52.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.26 -179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.443 ' CD1' ' HA ' ' A' ' 33' ' ' ILE . 30.0 mt -56.81 -52.2 65.97 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.84 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -52.67 63.1 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.925 0.393 . . . . 0.0 110.695 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.38 -31.18 71.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.711 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' THR . 14.1 tt0 -59.02 -35.24 72.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.178 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.474 HG12 ' CG ' ' A' ' 29' ' ' TYR . 2.1 mt -74.79 -35.63 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.517 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -70.17 -43.07 71.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 CA--C 1.516 -0.346 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -45.12 -36.69 3.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.359 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.84 -44.96 72.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.099 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.417 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -67.76 -46.16 72.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.573 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -62.16 -51.4 67.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.561 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -62.42 -36.49 82.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.414 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.8 -33.3 66.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.438 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.403 ' CB ' ' CD1' ' A' ' 33' ' ' ILE . . . -58.59 -49.33 77.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.685 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.411 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 1.6 tp -64.36 -46.14 93.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.181 0.515 . . . . 0.0 110.357 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HA ' HG22 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -55.69 -48.69 74.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.503 179.519 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.89 -44.92 78.65 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -62.91 -34.2 76.93 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 177.417 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.426 HG22 ' HA ' ' A' ' 18' ' ' LYS . 38.3 t -70.79 -35.27 59.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.767 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.34 -26.43 55.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.246 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.77 -79.24 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 111.295 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.19 59.02 0.3 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.315 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.408 ' CG2' ' CG2' ' A' ' 49' ' ' ILE . 13.9 t -107.48 175.99 5.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.948 0.404 . . . . 0.0 111.016 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.62 99.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.398 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.439 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 3.7 mt-10 -54.02 -29.24 42.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.38 -34.19 1.21 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.134 0.492 . . . . 0.0 110.338 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.448 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -72.52 -43.76 63.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.241 179.232 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.506 HG23 ' N ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -60.1 -32.75 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.129 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.506 ' N ' HG23 ' A' ' 30' ' ' ILE . 2.4 tmtt? -66.88 -32.13 73.19 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.592 178.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.51 -31.64 72.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.565 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -76.11 -29.49 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.354 -179.767 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.455 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -36.77 -44.56 0.49 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.961 0.41 . . . . 0.0 111.525 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.11 -30.78 8.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.305 179.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 40.29 -113.86 0.17 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.85 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.2 tttt 178.26 -39.59 0.01 OUTLIER 'General case' 0 C--O 1.23 0.073 0 CA-C-O 121.071 0.463 . . . . 0.0 110.09 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.08 171.63 16.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.31 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -54.93 -54.79 20.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.269 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.06 -41.47 99.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -53.12 -33.33 44.8 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.537 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 t -78.47 -50.63 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.874 0.369 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.417 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 92.7 m95 -57.11 -33.91 67.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 48' ' ' GLU . 14.8 t -74.97 -35.03 62.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.44 -53.04 62.29 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.122 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.445 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.85 -51.4 68.38 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.951 0.405 . . . . 0.0 110.334 179.32 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -62.86 -29.41 70.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.656 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 44' ' ' THR . 6.5 mt-10 -60.1 -37.49 80.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.301 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 29' ' ' TYR . 1.3 mt -73.95 -34.71 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.615 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -63.41 -31.63 72.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.244 -179.754 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 31.6 p . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.909 0.385 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.5 p -144.88 -46.73 0.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -66.13 -28.79 69.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.63 174.78 5.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.943 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -178.96 113.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.113 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mt -79.82 123.43 36.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.457 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -108.83 -28.0 9.43 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.617 0.246 . . . . 0.0 111.574 -179.543 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.434 ' N ' HD21 ' A' ' 7' ' ' LEU . 2.9 t-20 176.51 123.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.857 0.361 . . . . 0.0 111.575 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.97 -42.72 12.26 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.505 0.669 . . . . 0.0 109.226 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.412 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -45.22 -36.75 4.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.33 179.164 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -72.83 -40.95 65.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.221 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.455 ' CB ' ' CZ3' ' A' ' 43' ' ' TRP . . . -67.72 -46.2 72.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.738 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.412 ' CG ' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -68.85 -51.51 39.63 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.151 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -49.46 -37.06 24.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.943 0.401 . . . . 0.0 110.594 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -70.7 -33.11 70.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.273 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.41 -43.48 79.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.879 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.444 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 4.2 mp -71.7 -51.21 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.432 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HA ' HG21 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -54.6 -48.74 71.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.617 179.786 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -57.27 -44.09 83.63 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.415 ' CD2' ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -64.49 -31.67 72.98 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 177.572 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 17' ' ' ILE . 29.9 t -73.5 -35.2 44.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.693 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -86.0 -26.47 25.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.832 0.348 . . . . 0.0 111.217 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.56 -60.33 1.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.264 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.8 68.12 1.3 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.327 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -121.83 -170.94 2.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.122 0.487 . . . . 0.0 111.378 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.34 99.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.168 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' O ' ' CG2' ' A' ' 30' ' ' ILE . 1.0 OUTLIER -56.32 -28.93 60.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.988 -179.713 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.02 -34.68 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.129 0.49 . . . . 0.0 110.337 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.447 ' CG ' HG12 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -72.33 -41.03 66.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.382 179.193 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.526 HG23 ' N ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -60.11 -32.11 49.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.336 0.588 . . . . 0.0 109.43 178.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.526 ' N ' HG23 ' A' ' 30' ' ' ILE . 3.8 ttpp -68.65 -31.6 70.85 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.537 178.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.68 -31.99 72.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.612 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -74.77 -29.79 23.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.042 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.433 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -51.3 -27.66 10.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.065 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.49 -13.72 25.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.276 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.83 132.85 11.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.421 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -104.61 -31.23 9.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.684 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.0 p -96.35 138.51 33.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.707 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.2 m -55.83 -40.43 61.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.296 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.35 -42.52 79.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.25 -30.03 63.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.458 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -80.39 -50.68 17.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.765 0.317 . . . . 0.0 110.486 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.465 ' CD1' ' CE ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -58.07 -31.99 67.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.135 0.493 . . . . 0.0 110.486 179.377 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.3 m -73.48 -42.01 62.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.287 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 mt -57.74 -50.89 71.73 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.311 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' CE ' ' CD1' ' A' ' 43' ' ' TRP . 2.1 pttp -61.57 -51.85 66.87 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.015 0.436 . . . . 0.0 110.726 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -64.15 -32.42 73.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.711 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -57.9 -34.7 70.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.39 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.447 HG12 ' CG ' ' A' ' 29' ' ' TYR . 1.2 mt -77.26 -33.93 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.387 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -57.3 -32.67 66.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.641 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.28 -21.92 18.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.907 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 67.16 22.54 9.77 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.0 p 51.86 -169.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.135 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.4 m -154.6 96.87 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.3 m 61.7 82.55 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.777 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.152 -0.928 . . . . 0.0 110.956 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.866 0.365 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.4 t -69.91 -30.14 67.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -100.78 164.9 11.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 ptpp? -125.72 -170.13 2.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.89 -177.4 4.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.143 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mt -69.97 110.38 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.115 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.93 -79.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.961 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -166.69 99.9 0.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.861 0.362 . . . . 0.0 110.832 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -87.95 -45.58 10.11 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.447 0.641 . . . . 0.0 109.302 179.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.25 -36.4 2.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.509 179.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -78.32 -39.9 38.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.141 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.457 ' CB ' ' CZ3' ' A' ' 43' ' ' TRP . . . -65.61 -48.18 73.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.728 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -43.66 77.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.655 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -51.17 -39.63 56.8 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.489 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -33.2 65.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.445 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.56 -47.39 70.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.182 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.465 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 4.1 mp -74.16 -51.42 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.728 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.26 -49.02 67.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.81 -43.85 90.67 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -64.49 -31.04 72.09 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.687 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 17' ' ' ILE . 25.2 t -74.16 -35.51 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.982 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.94 -18.08 60.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.3 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.66 -71.35 0.62 Allowed 'General case' 0 C--O 1.238 0.46 0 CA-C-O 120.992 0.425 . . . . 0.0 111.334 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.571 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 136.92 -87.77 0.22 Allowed Glycine 0 N--CA 1.452 -0.267 0 N-CA-C 111.611 -0.596 . . . . 0.0 111.611 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.409 HG21 ' CG2' ' A' ' 49' ' ' ILE . 0.6 OUTLIER 46.93 179.18 0.01 OUTLIER 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 179.242 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.69 107.67 1.01 Allowed 'General case' 0 C--O 1.222 -0.368 0 CA-C-O 121.21 0.529 . . . . 0.0 110.682 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 3.5 mt-10 -64.8 -29.36 70.32 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.868 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -42.32 -34.8 0.85 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.074 0.464 . . . . 0.0 110.476 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.479 ' CG ' HG12 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -67.75 -43.69 79.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.498 179.422 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -56.22 -31.92 33.42 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.086 0 CA-C-O 121.327 0.584 . . . . 0.0 109.476 178.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.491 ' N ' HG22 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -67.52 -31.39 71.47 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.298 178.292 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -31.81 69.09 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.811 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 30' ' ' ILE . 0.9 OUTLIER -73.8 -29.7 26.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.365 -179.568 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.421 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -50.84 -27.15 6.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 111.243 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -109.46 -2.8 17.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.262 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 37' ' ' LYS . . . -35.8 -37.21 0.09 Allowed 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 36' ' ' ALA . 1.1 mmmm 66.19 -66.37 0.17 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.836 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 p -72.6 133.95 44.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.6 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 t -54.9 -52.47 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.564 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.15 -39.41 82.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.193 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.76 -27.53 68.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.828 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.403 HG21 ' CB ' ' A' ' 36' ' ' ALA . 0.4 OUTLIER -79.34 -50.6 17.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.86 0.362 . . . . 0.0 110.764 -179.805 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.457 ' CZ3' ' CB ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -54.5 -32.79 58.66 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.4 179.543 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 48' ' ' GLU . 82.1 p -73.54 -51.37 17.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.166 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.446 ' CD1' ' HA ' ' A' ' 33' ' ' ILE . 19.3 mt -47.62 -51.36 21.59 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.692 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.426 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -63.65 -46.47 85.48 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.174 0.512 . . . . 0.0 110.516 179.592 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -67.85 -24.58 65.28 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.344 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' THR . 2.1 tt0 -71.68 -31.13 66.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.988 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.479 HG12 ' CG ' ' A' ' 29' ' ' TYR . 1.1 mt -78.63 -37.46 20.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.872 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -26.4 60.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.99 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.7 p -99.32 -38.1 8.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.898 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.6 t80 58.85 23.96 11.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.217 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.1 t -74.73 104.15 5.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.5 p -175.8 137.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.8 t -59.9 171.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.815 -179.933 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.81 0.338 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -95.4 142.86 27.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.71 88.46 2.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.842 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm 52.75 25.5 3.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.343 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.89 172.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.149 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mt -76.56 117.04 20.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mp -158.29 -41.85 0.06 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.326 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -131.86 110.9 11.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -87.57 -40.31 14.36 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.16 -36.64 3.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.265 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -65.92 -47.4 74.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.116 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.438 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -67.23 -45.33 77.09 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.62 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -60.99 -51.48 69.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.554 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -62.33 -33.3 74.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.453 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -76.52 -33.3 58.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.032 0.444 . . . . 0.0 110.347 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.41 90.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.859 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.421 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 1.2 mm -72.23 -49.62 41.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.235 0.54 . . . . 0.0 110.352 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HA ' HG23 ' A' ' 21' ' ' VAL . 15.6 tttt -54.12 -48.71 70.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.608 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -44.0 82.53 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -64.7 -33.16 75.3 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.7 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 17' ' ' ILE . 34.6 t -71.43 -35.22 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.705 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.73 -17.9 62.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.74 -77.22 0.51 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.429 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.532 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 144.97 -83.0 0.2 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.175 -179.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 24' ' ' GLY . 0.6 OUTLIER 46.92 179.26 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.007 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.97 97.36 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.002 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.432 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 1.7 pt-20 -54.54 -28.72 47.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.329 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.34 -45.24 4.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.949 0.404 . . . . 0.0 110.751 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.433 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -63.09 -41.34 99.38 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.218 0.532 . . . . 0.0 109.721 178.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.432 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -54.5 -43.18 62.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.574 178.693 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.49 -31.35 67.77 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.715 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -33.61 75.92 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.351 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.46 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -73.99 -29.95 26.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.418 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -50.68 -26.26 5.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.529 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -99.88 -3.16 33.09 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 111.491 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.402 ' CB ' HG23 ' A' ' 42' ' ' VAL . . . -54.04 134.26 43.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.859 0.362 . . . . 0.0 111.306 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -102.14 -28.49 12.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.065 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.4 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 36.4 p -110.45 143.56 40.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.751 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.419 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 21.4 m -53.16 -45.69 54.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.334 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -55.89 -52.78 62.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.334 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.18 -28.15 48.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.733 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.402 HG23 ' CB ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -84.33 -45.98 17.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.894 0.378 . . . . 0.0 110.692 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.438 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 79.8 m95 -63.42 -30.56 71.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.772 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.0 t -78.72 -40.74 32.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.285 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 33' ' ' ILE . 61.9 mt -58.59 -51.86 68.13 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.068 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -44.57 90.4 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.948 0.404 . . . . 0.0 110.661 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -69.16 -24.74 64.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.139 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -71.99 -32.96 67.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.433 ' CD1' ' HB3' ' A' ' 29' ' ' TYR . 1.4 mt -77.97 -38.62 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.987 0.423 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -75.89 -29.23 58.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.401 ' CG2' ' CG2' ' A' ' 53' ' ' THR . 7.1 m -96.02 -26.45 15.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 64.15 23.36 13.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.158 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.401 ' CG2' ' CG2' ' A' ' 51' ' ' THR . 73.2 p -60.09 147.28 40.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.2 p -107.42 -31.21 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 t -133.26 166.33 22.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.959 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.775 0.321 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.44 97.25 6.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.09 -47.55 2.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.602 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -141.7 -173.84 3.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.653 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.62 117.37 0.2 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.364 -179.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.2 mt -131.15 98.29 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.743 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -116.67 -35.25 4.26 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.185 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -155.72 121.19 4.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.021 0.438 . . . . 0.0 111.472 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -87.74 -39.1 15.22 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -44.4 -36.86 3.06 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.05 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -61.07 -47.52 85.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.711 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.487 ' CB ' ' CZ3' ' A' ' 43' ' ' TRP . . . -68.15 -45.06 74.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.258 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -56.86 -48.93 76.95 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.703 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.53 -34.15 68.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.576 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -71.75 -43.0 66.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.638 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.39 -49.24 67.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.443 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 2.2 tp -63.5 -49.08 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.421 ' HA ' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -55.03 -48.89 72.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.792 179.871 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -57.59 -43.85 84.94 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -63.94 -33.57 76.01 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.543 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.443 ' CG2' ' O ' ' A' ' 17' ' ' ILE . 38.9 t -70.5 -35.31 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.487 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -72.71 -23.22 60.83 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.87 -76.08 0.58 Allowed 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.33 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.481 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 141.36 -73.9 0.37 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.149 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 t 42.0 -165.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.67 103.12 8.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.632 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 30' ' ' ILE . 2.3 mt-10 -56.59 -31.03 63.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.229 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.31 -35.28 1.44 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.211 0.529 . . . . 0.0 110.784 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.475 ' CG ' HG12 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -69.66 -42.77 73.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.328 179.534 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.504 HG23 ' N ' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -56.29 -31.83 33.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.88 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.504 ' N ' HG23 ' A' ' 30' ' ' ILE . 36.8 ttpt -68.83 -31.64 70.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.28 178.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.83 -32.01 72.26 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.716 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -75.93 -29.86 20.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 -179.724 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.429 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -53.33 -25.19 14.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.139 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.63 -3.09 33.92 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.407 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.92 134.85 37.31 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.914 0.387 . . . . 0.0 111.114 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.52 -30.6 11.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.592 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.8 p -99.98 140.34 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.426 HG12 ' CE3' ' A' ' 43' ' ' TRP . 49.0 t -56.07 -48.36 79.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.96 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.86 -41.03 99.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.53 -30.95 59.64 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.595 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.92 -51.55 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.818 0.342 . . . . 0.0 110.832 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.487 ' CZ3' ' CB ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -57.39 -37.6 72.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.747 179.703 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 48' ' ' GLU . 50.7 p -67.88 -42.88 80.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.204 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.435 ' CD1' ' HA ' ' A' ' 33' ' ' ILE . 75.9 mt -55.37 -49.61 71.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.622 0.248 . . . . 0.0 111.152 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.457 ' CE ' ' CD1' ' A' ' 43' ' ' TRP . 6.2 pttp -66.68 -50.4 62.99 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.246 0.546 . . . . 0.0 110.68 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.92 -24.64 67.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.011 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' THR . 47.6 tt0 -70.63 -38.82 73.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.475 HG12 ' CG ' ' A' ' 29' ' ' TYR . 1.3 mt -69.04 -38.57 78.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.328 . . . . 0.0 110.739 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -26.48 60.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.086 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.7 p -84.96 -28.96 25.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.968 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -176.35 179.4 1.22 Allowed 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.5 p -132.16 63.25 1.62 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.89 0.376 . . . . 0.0 110.806 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.0 m -61.47 126.71 19.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.8 p -142.14 119.88 11.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.906 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 3' ' ' TYR . 1.3 p . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.873 0.368 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 63.8 p 52.76 -85.77 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.328 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 1' ' ' THR . 0.9 OUTLIER -162.09 -50.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.982 0.42 . . . . 0.0 111.024 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.23 -179.46 5.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.815 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -176.52 93.94 0.05 OUTLIER 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.861 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.4 mt -93.59 114.9 31.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.5 mp -91.6 -59.3 2.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -159.73 29.48 0.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 9' ' ' LEU . 2.9 mm? -87.92 -44.45 11.03 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.447 0.642 . . . . 0.0 109.443 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.56 -36.85 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.38 179.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -73.4 -41.63 63.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.205 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.44 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -68.9 -45.51 70.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.664 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -67.18 -51.58 51.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.668 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -49.1 -41.66 36.41 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.62 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -70.35 -33.21 71.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.48 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.99 -45.25 71.39 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.975 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.433 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 4.2 mp -73.11 -51.26 27.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.993 0.425 . . . . 0.0 110.61 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -53.33 -48.72 68.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.771 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.71 -43.44 85.22 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -65.34 -31.12 72.08 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 177.705 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 17' ' ' ILE . 26.1 t -73.96 -35.32 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.873 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -86.42 -18.78 30.89 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.62 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.78 -59.01 2.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.59 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.71 118.46 2.84 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.347 -0.93 . . . . 0.0 111.66 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.436 ' CG2' ' CG2' ' A' ' 49' ' ' ILE . 15.3 t -170.85 -166.88 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.319 0.58 . . . . 0.0 111.364 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.74 88.23 0.06 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.144 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 7.0 pt-20 -47.51 -29.19 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.929 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -46.89 -38.09 9.9 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.047 0.451 . . . . 0.0 110.477 179.672 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.437 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 0.3 OUTLIER -60.0 -35.08 74.27 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.166 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.556 ' HA ' HG22 ' A' ' 33' ' ' ILE . 2.0 mm -68.86 -33.88 61.53 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.741 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 2.7 tptt -56.59 -31.14 63.97 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -38.78 58.93 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.757 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.556 HG22 ' HA ' ' A' ' 30' ' ' ILE . 0.7 OUTLIER -58.46 -29.69 39.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-O 120.624 0.25 . . . . 0.0 111.294 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.484 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -41.66 -44.74 3.22 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.228 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.19 -30.72 11.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.089 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 37.66 -93.02 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.059 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.2 pttt 163.67 -33.72 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.251 0.548 . . . . 0.0 109.684 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -168.3 -174.91 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.953 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 t -59.21 -50.41 79.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.011 0.434 . . . . 0.0 110.788 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -67.43 -35.98 80.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.893 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.44 -34.92 64.37 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.3 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.402 ' CG1' ' HB ' ' A' ' 33' ' ' ILE . 1.5 t -76.3 -47.99 29.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.995 0.426 . . . . 0.0 110.24 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.44 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 42.0 m95 -54.93 -28.76 53.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.458 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 48' ' ' GLU . 38.1 m -76.28 -54.5 6.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.433 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.423 ' CB ' HG21 ' A' ' 33' ' ' ILE . 4.5 mm? -47.3 -54.52 10.81 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.616 0.246 . . . . 0.0 111.439 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.412 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -60.5 -55.14 37.04 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.925 0.393 . . . . 0.0 110.521 179.654 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -58.2 -24.67 59.94 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.224 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -70.97 -30.5 66.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.481 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 29' ' ' TYR . 2.5 mt -76.65 -38.03 30.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.9 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.74 -40.73 24.74 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.644 -0.423 . . . . 0.0 111.104 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.1 m -81.08 -33.97 33.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.4 t80 56.13 23.48 6.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.209 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.6 p -144.77 177.92 8.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.788 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.0 t -121.76 16.3 5.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.439 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.9 p 50.88 29.54 4.48 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.825 0.345 . . . . 0.0 111.204 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.826 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.731 0.301 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.7 p -97.67 31.37 2.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.867 0.365 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.73 -39.54 3.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.6 -168.3 1.46 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.112 0.482 . . . . 0.0 110.749 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.74 59.2 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.021 0.439 . . . . 0.0 110.838 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.436 ' HB ' ' HB2' ' A' ' 11' ' ' GLN . 2.6 mt -124.23 75.71 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.304 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 47.44 -92.62 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.786 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.26 -50.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.803 0.335 . . . . 0.0 111.222 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 mp -87.63 -43.98 11.56 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.94 -36.56 2.48 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.953 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.436 ' HB2' ' HB ' ' A' ' 6' ' ' ILE . 18.5 tt0 -71.73 -48.1 49.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.829 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.437 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . . . -58.88 -49.54 77.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.668 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -51.86 58.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.749 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.86 -41.98 62.28 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.796 0.331 . . . . 0.0 110.591 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.448 ' HA ' ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -61.1 -33.9 74.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.226 179.553 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.29 -44.32 97.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.102 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.402 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 4.2 mp -74.63 -51.12 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.294 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' HA ' HG23 ' A' ' 21' ' ' VAL . 6.0 pttt -55.94 -48.74 75.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.764 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.434 ' N ' ' CG ' ' A' ' 18' ' ' LYS . 5.5 mm-40 -57.74 -43.97 85.72 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -63.12 -36.85 84.96 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 177.521 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.465 HG23 ' HA ' ' A' ' 18' ' ' LYS . 48.3 t -64.25 -35.31 73.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.907 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.71 -19.68 61.36 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.092 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.0 -81.37 0.53 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.703 0.287 . . . . 0.0 111.473 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.487 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 148.23 -75.96 0.26 Allowed Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.263 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.407 ' OG1' ' CG2' ' A' ' 49' ' ' ILE . 2.7 t 42.49 -167.48 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.104 0.478 . . . . 0.0 112.256 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.03 94.28 4.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.734 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.48 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -52.92 -29.21 27.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.256 -179.625 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -45.29 -38.13 5.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.126 0.489 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.461 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -60.49 -41.34 94.05 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.057 179.29 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.456 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.5 OUTLIER -62.05 -41.61 91.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.897 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -31.04 16.46 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tp -75.67 -31.79 59.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.953 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.521 HG23 ' HB2' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -62.83 -29.87 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 120.798 0.333 . . . . 0.0 110.825 -179.799 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.447 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.63 -32.05 58.3 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.992 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.98 -2.91 33.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.067 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.438 ' CB ' HG21 ' A' ' 42' ' ' VAL . . . -35.71 -36.87 0.08 Allowed 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? 69.28 -66.35 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.77 142.99 29.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.693 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.4 m -56.13 -46.31 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.18 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -60.96 -44.5 97.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.09 -27.75 57.69 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.656 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.438 HG21 ' CB ' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -77.76 -50.16 20.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.873 0.368 . . . . 0.0 110.604 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.437 ' CZ2' ' HA ' ' A' ' 12' ' ' ALA . 93.4 m95 -57.8 -29.78 65.17 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.671 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.8 m -74.77 -49.35 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.163 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.521 ' HB2' HG23 ' A' ' 33' ' ' ILE . 37.4 mt -52.77 -53.97 40.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.518 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.438 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.04 -55.6 30.81 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 110.951 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.2 -33.04 71.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.044 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -56.97 -43.51 81.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.428 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 29' ' ' TYR . 1.0 OUTLIER -66.79 -35.19 74.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.281 179.443 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -65.19 -32.26 73.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.483 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.3 m -76.19 -19.83 58.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.939 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -90.78 24.48 2.71 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.321 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.6 p 60.07 158.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.7 m -135.65 -46.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.031 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.3 m -140.8 31.46 1.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.868 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 120.716 0.293 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.1 p -121.81 157.98 29.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.999 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -101.36 139.22 37.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -65.9 -167.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tp -165.95 -69.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.034 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.8 mt -120.24 117.63 54.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.115 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mp -136.64 -72.26 0.44 Allowed 'General case' 0 C--O 1.239 0.523 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.785 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -177.62 115.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.708 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -87.8 -42.92 12.24 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.7 -36.66 5.13 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.447 179.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -63.69 -42.64 97.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.272 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.417 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -78.06 -42.63 31.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.808 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -60.51 -48.73 80.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.8 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.69 -37.13 86.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.712 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.479 ' HA ' ' HG2' ' A' ' 18' ' ' LYS . 1.3 tt0 -73.73 -33.22 64.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.95 76.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.506 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 tp -67.15 -51.38 54.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.7 0.286 . . . . 0.0 111.421 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.519 ' HA ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -61.1 -40.42 93.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.849 179.583 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -57.85 -45.37 86.35 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 178.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.483 ' CD2' ' HA ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -61.81 -36.12 80.2 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 177.041 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.519 HG23 ' HA ' ' A' ' 18' ' ' LYS . 39.9 t -69.59 -35.0 64.12 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.05 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -75.06 -28.09 60.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.151 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.75 -71.6 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.298 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.19 75.06 0.91 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.248 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -126.0 -171.04 2.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.036 0.446 . . . . 0.0 111.267 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.59 95.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.021 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.483 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 6.9 pm0 -54.06 -29.54 44.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.209 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.53 -32.96 1.01 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.132 0.492 . . . . 0.0 110.35 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.469 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -73.02 -42.97 62.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.298 179.113 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.507 HG22 ' N ' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -56.53 -31.92 35.32 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.072 0 CA-C-O 121.334 0.588 . . . . 0.0 109.467 178.772 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.507 ' N ' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -70.49 -31.6 68.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.335 178.164 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.28 -31.94 70.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.474 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 30' ' ' ILE . 0.9 OUTLIER -74.52 -29.82 24.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.288 -179.751 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.41 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -53.3 -26.06 17.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.813 0.339 . . . . 0.0 111.082 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.24 -2.75 17.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.419 ' CB ' HG21 ' A' ' 42' ' ' VAL . . . -40.64 -30.82 0.13 Allowed 'General case' 0 C--O 1.231 0.12 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt 65.47 -73.83 0.06 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.777 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.7 p -66.71 125.27 25.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.541 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.411 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 10.9 m -48.16 -45.71 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.407 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -53.1 61.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.351 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -53.64 -25.43 28.58 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.937 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.438 ' CG1' ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -76.98 -52.12 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 0.0 110.831 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.417 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 85.9 m95 -55.9 -28.47 56.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.798 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' GLU . 3.5 m -76.1 -47.46 24.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 33' ' ' ILE . 30.9 mt -52.7 -48.53 66.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.425 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.446 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 0.5 OUTLIER -65.87 -55.64 15.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.066 0.46 . . . . 0.0 110.664 179.631 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.35 -24.72 65.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.065 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 44' ' ' THR . 23.1 tt0 -69.68 -39.41 77.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.99 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 29' ' ' TYR . 1.7 mt -67.17 -38.67 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.602 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -31.01 72.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.827 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.4 m -75.28 -48.05 25.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' A' ' 53' ' ' THR . 0.1 OUTLIER -164.72 -155.34 0.26 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.054 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.467 ' N ' ' CG ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -151.72 -75.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.838 0.352 . . . . 0.0 110.977 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 m -101.83 146.89 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.195 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 m -104.18 31.21 4.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.883 -179.944 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 121.172 0.511 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.2 p -111.53 135.97 51.37 Favored 'General case' 0 N--CA 1.458 -0.07 0 CA-C-O 121.018 0.437 . . . . 0.0 110.685 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.34 -52.44 3.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.982 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -105.82 -167.57 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.612 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tp -174.01 112.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.203 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.3 mt -105.26 115.85 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.83 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -122.6 -58.14 1.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.867 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 179.82 -33.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.387 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -87.55 -42.18 12.93 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.49 0.662 . . . . 0.0 109.329 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -46.37 -36.98 6.94 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.316 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -67.59 -39.6 84.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.307 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.461 ' CB ' ' CZ3' ' A' ' 43' ' ' TRP . . . -76.97 -43.83 33.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.753 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.32 -49.42 76.16 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.493 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.49 -34.33 77.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.018 0.437 . . . . 0.0 110.411 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.408 ' HA ' ' HG2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -73.8 -33.17 64.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.713 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.57 -36.58 76.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.353 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 tp -72.66 -50.58 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.613 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HA ' HG22 ' A' ' 21' ' ' VAL . 2.4 ptpt -58.52 -38.27 77.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.705 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 5.0 mm-40 -63.6 -42.36 98.25 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 178.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -66.21 -36.29 82.66 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.239 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.474 HG22 ' HA ' ' A' ' 18' ' ' LYS . 44.4 t -65.4 -35.1 74.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 114.975 -1.012 . . . . 0.0 110.115 178.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.64 -18.1 60.59 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.342 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.16 -86.4 0.38 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.643 0.259 . . . . 0.0 111.579 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.475 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 156.82 -70.66 0.26 Allowed Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.232 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.411 ' OG1' ' CG2' ' A' ' 49' ' ' ILE . 3.4 t 42.41 -166.08 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.914 0.388 . . . . 0.0 111.903 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.79 96.01 6.84 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.051 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.408 ' HA ' HD21 ' A' ' 20' ' ' LEU . 1.5 mt-10 -53.65 -29.49 38.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.054 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -45.93 -35.89 5.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.185 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.499 ' CB ' HG12 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -65.04 -37.68 88.38 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 109.979 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.545 ' HA ' HG23 ' A' ' 33' ' ' ILE . 3.3 mm -62.22 -31.78 52.63 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-O 121.315 0.579 . . . . 0.0 109.68 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -65.09 -31.07 72.1 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.34 -33.09 49.35 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.921 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.545 HG23 ' HA ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -70.71 -29.73 39.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.363 -179.571 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.447 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.86 -26.35 34.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.97 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.77 -3.27 39.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.76 133.7 31.19 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.805 0.336 . . . . 0.0 111.223 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -101.59 -36.56 8.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.431 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.86 134.66 41.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.388 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.8 m -50.33 -48.72 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.266 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -37.2 75.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.0 -28.81 72.67 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.708 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -80.56 -51.02 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.692 0.282 . . . . 0.0 110.947 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.461 ' CZ3' ' CB ' ' A' ' 12' ' ' ALA . 0.8 OUTLIER -58.64 -32.04 68.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.584 179.66 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.2 m -72.56 -45.63 58.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.945 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.475 ' O ' HG13 ' A' ' 49' ' ' ILE . 12.7 mt -53.14 -49.63 66.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.477 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 6.4 pttp -65.45 -49.63 68.4 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.038 0.446 . . . . 0.0 110.537 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.51 -24.49 66.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.725 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.62 -30.16 62.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.817 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.499 HG12 ' CB ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -75.03 -38.39 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.347 . . . . 0.0 110.474 179.603 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -68.64 -27.38 65.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.798 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -78.71 -28.48 45.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.08 23.24 12.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.207 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -78.79 -47.23 17.12 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 32.7 t -131.74 158.69 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.475 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m 62.72 34.65 14.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.065 0.459 . . . . 0.0 111.036 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.249 -0.882 . . . . 0.0 111.164 -179.919 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.493 1.718 0 CA-C-O 120.728 0.299 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.1 125.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.096 0.474 . . . . 0.0 111.127 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -95.09 137.48 34.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.032 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.93 171.25 8.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 179.71 88.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.981 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 8' ' ' ASN . 2.0 mt -117.16 83.24 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mp 55.95 -85.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.359 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 6' ' ' ILE . 5.8 t-20 -166.97 115.54 0.84 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.779 0.323 . . . . 0.0 111.08 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -88.08 -41.12 13.28 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.473 0.654 . . . . 0.0 109.462 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.27 -37.07 6.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.023 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -72.16 -38.42 69.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.281 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.454 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -73.06 -42.33 63.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.835 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.5 tttt -73.67 -48.82 29.38 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.702 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -56.67 -43.45 80.43 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.899 0.381 . . . . 0.0 110.466 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.73 -33.34 74.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.51 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.41 -37.95 76.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.84 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.428 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 1.3 mm -73.6 -51.42 25.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.437 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -53.63 -48.67 69.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.671 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -57.56 -42.72 83.57 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.439 HD13 HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER -66.37 -30.56 70.97 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 177.744 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.428 ' CG2' ' O ' ' A' ' 17' ' ' ILE . 23.2 t -74.72 -35.22 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.984 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -91.17 -17.82 25.47 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.604 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.88 -47.89 2.94 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.83 0.308 . . . . 0.0 111.83 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.42 98.3 0.19 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.111 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.439 HG22 HD13 ' A' ' 20' ' ' LEU . 5.1 t -146.64 -167.09 2.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.22 0.533 . . . . 0.0 111.326 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.01 88.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.888 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.457 ' HA ' HG12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -53.0 -29.4 29.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.111 -179.773 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 4.3 mttt -44.69 -35.71 2.78 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.491 ' CD2' HG12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -64.68 -38.52 91.29 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.602 -0.439 . . . . 0.0 109.931 179.601 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.484 ' HA ' HG21 ' A' ' 33' ' ' ILE . 2.8 mm -59.22 -32.06 47.43 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 8.1 tmtt? -64.74 -31.23 72.35 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 177.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.5 -35.34 34.81 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.485 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.484 HG21 ' HA ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -73.86 -30.07 27.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.722 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.4 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -53.99 -25.45 21.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.948 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -102.15 -2.94 28.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.199 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.55 121.87 2.46 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.797 0.332 . . . . 0.0 111.646 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.84 26.22 5.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -162.38 133.53 5.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.491 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.9 t -54.22 -42.41 56.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.069 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.91 -42.05 81.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.634 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.21 -28.72 59.1 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.411 ' CG1' ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -80.45 -45.25 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.695 0.283 . . . . 0.0 110.6 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.454 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 22.8 m95 -58.66 -34.04 70.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.549 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 48' ' ' GLU . 9.5 m -74.28 -47.15 36.7 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.267 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' A' ' 33' ' ' ILE . 50.2 mt -50.64 -51.77 45.92 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.45 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 47' ' ' ASP . 9.0 pttt -63.44 -48.34 78.14 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.117 0.484 . . . . 0.0 110.484 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 46' ' ' LYS . 1.2 t70 -64.11 -24.65 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.908 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' THR . 1.7 mt-10 -71.16 -30.46 66.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.21 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.491 HG12 ' CD2' ' A' ' 29' ' ' TYR . 0.8 OUTLIER -78.84 -36.88 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.747 179.722 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -64.91 -29.81 70.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.941 0.401 . . . . 0.0 110.395 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.6 -25.78 19.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.626 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -108.09 25.09 12.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.6 p -51.59 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.132 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.6 p -94.73 147.71 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.248 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 46.1 m -103.91 -27.39 12.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.988 179.953 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 40.5 p . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 120.873 0.368 . . . . 0.0 111.515 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.7 t -75.85 93.01 3.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.312 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -91.82 -38.41 12.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 53.02 -174.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.49 90.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.694 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mt -96.38 85.5 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.453 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -65.15 -72.63 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.621 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -145.78 55.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.582 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.02 -44.87 10.66 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.468 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.49 -37.08 3.26 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.355 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -76.02 -38.82 56.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.456 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.417 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -72.43 -43.35 63.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.189 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -61.42 -49.28 77.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.821 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.86 -34.59 77.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.684 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -78.9 -35.79 42.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.77 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.6 -49.27 75.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.409 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 2.3 tp -69.9 -48.06 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.728 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' HA ' HG23 ' A' ' 21' ' ' VAL . 47.6 tttp -54.43 -48.82 71.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.69 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -56.72 -44.41 81.59 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -63.82 -36.76 84.96 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.558 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.448 HG23 ' HA ' ' A' ' 18' ' ' LYS . 41.1 t -65.27 -35.34 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.377 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.8 -20.26 63.46 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.95 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -132.41 -80.48 0.5 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.336 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.443 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 148.96 -75.5 0.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.382 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.0 t 42.48 -165.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.871 0.367 . . . . 0.0 111.947 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.31 103.05 9.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.467 ' O ' HG22 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -57.7 -29.46 64.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.061 -179.848 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.82 -32.07 0.98 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.108 0.48 . . . . 0.0 110.29 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.476 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -73.19 -46.87 48.1 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.188 179.098 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.499 HG21 ' N ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -59.45 -35.39 58.51 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-O 121.26 0.553 . . . . 0.0 109.535 179.028 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.499 ' N ' HG21 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -63.8 -31.41 72.57 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.714 178.73 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -32.41 72.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.579 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.482 HG23 ' HA ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -72.34 -29.86 33.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.447 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -52.63 -27.47 17.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.116 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -98.75 -3.24 36.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.327 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.18 134.85 32.83 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.905 0.383 . . . . 0.0 111.275 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -102.96 -30.96 10.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.541 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.81 141.95 34.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.501 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.4 m -54.6 -48.14 71.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.301 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -59.26 -47.65 84.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.999 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -53.84 -30.36 44.4 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.582 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -78.81 -54.89 11.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.954 0.407 . . . . 0.0 110.657 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.417 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 94.3 m95 -60.05 -27.35 66.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.7 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 48' ' ' GLU . 86.1 m -72.98 -47.14 47.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.424 ' HB2' ' CG2' ' A' ' 33' ' ' ILE . 87.3 mt -57.5 -52.3 65.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.318 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -60.45 -53.38 58.31 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.016 0.436 . . . . 0.0 110.655 179.7 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -63.11 -27.97 69.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.87 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' THR . 7.4 mt-10 -61.91 -35.32 78.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.564 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 29' ' ' TYR . 0.9 OUTLIER -77.23 -34.93 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.588 179.714 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -59.85 -44.95 93.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.824 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.0 p -73.96 -31.0 62.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.1 t80 59.91 24.35 13.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.08 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.5 p -129.65 102.3 6.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.9 p -147.8 61.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.045 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 m -125.43 -45.41 1.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.897 179.968 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.731 0.3 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.5 p -58.67 -178.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.04 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -97.93 -7.61 29.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.343 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.405 ' HB3' ' CD1' ' A' ' 6' ' ' ILE . 23.9 ttmt -114.94 14.78 17.3 Favored 'General case' 0 C--O 1.228 -0.072 0 CA-C-O 120.591 0.234 . . . . 0.0 111.186 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 73.06 15.68 4.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.07 178.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.405 ' CD1' ' HB3' ' A' ' 4' ' ' LYS . 5.0 mt -94.5 96.7 6.16 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 CA-C-O 120.978 0.418 . . . . 0.0 111.227 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mp -114.25 -38.72 4.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.613 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -160.24 29.38 0.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.567 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -87.94 -46.53 9.3 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.443 0.639 . . . . 0.0 109.581 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.4 -37.1 2.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.816 -1.083 . . . . 0.0 110.528 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -71.42 -43.12 67.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.579 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.432 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -71.41 -43.54 66.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.937 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -56.38 -42.13 77.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.004 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -68.58 -34.46 75.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.65 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.54 -35.54 53.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.808 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.73 -49.43 77.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.429 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 2.4 tp -65.29 -49.47 78.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.739 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.403 ' HA ' HG23 ' A' ' 21' ' ' VAL . 2.0 tppt? -54.13 -48.7 70.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.549 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.18 -44.57 83.66 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.453 ' CD2' ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -64.02 -32.37 73.9 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.622 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' A' ' 17' ' ' ILE . 26.4 t -72.56 -35.53 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.017 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -85.56 -23.78 27.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.267 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.87 -58.78 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.319 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.08 51.2 3.24 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.217 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.404 ' CG2' ' CG2' ' A' ' 49' ' ' ILE . 14.7 t -103.38 -170.72 1.83 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.309 0.575 . . . . 0.0 111.211 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.88 100.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.314 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 13.8 pt-20 -56.19 -29.45 60.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.107 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -43.7 -32.64 1.04 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.314 0.578 . . . . 0.0 110.329 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.441 ' CD2' HG12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -70.21 -44.41 68.69 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.566 179.386 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.523 HG23 ' N ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -60.42 -33.86 55.72 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 CA-C-O 121.109 0.48 . . . . 0.0 109.801 179.299 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.523 ' N ' HG23 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -65.23 -31.52 72.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.618 178.655 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.66 -31.71 65.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.483 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.478 HG13 ' N ' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -69.93 -29.73 41.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.244 -179.717 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.478 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -57.23 -29.53 63.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.938 0.399 . . . . 0.0 110.84 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.69 -2.88 22.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.15 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.426 ' CB ' HG23 ' A' ' 42' ' ' VAL . . . -33.82 -37.32 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 69.54 -65.98 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.706 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.1 138.64 36.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.8 t -54.88 -54.84 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.461 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -39.7 76.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.018 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.411 ' HA2' HG23 ' A' ' 44' ' ' THR . . . -58.89 -29.75 65.3 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.65 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.439 ' CG1' ' HB ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -76.41 -52.36 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.391 . . . . 0.0 110.993 -179.69 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 88.7 m95 -57.57 -33.4 68.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.325 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.411 HG23 ' HA2' ' A' ' 41' ' ' GLY . 14.0 t -75.06 -33.08 61.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.456 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.45 ' CB ' HG21 ' A' ' 33' ' ' ILE . 82.3 mt -64.22 -52.33 59.36 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.016 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.438 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -60.52 -47.84 84.4 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.225 0.536 . . . . 0.0 109.854 179.032 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.437 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 5.4 m-20 -65.47 -29.56 70.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.377 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.45 -37.35 75.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.176 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.441 HG12 ' CD2' ' A' ' 29' ' ' TYR . 1.2 mt -74.76 -35.75 37.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.629 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -60.1 -50.69 72.69 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.781 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.59 -24.4 36.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.045 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.1 t80 67.33 24.01 9.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.157 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.4 t -63.16 127.22 30.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.2 p 43.89 35.26 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.573 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.8 m -88.84 -44.15 10.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.816 -179.911 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.8 t . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 120.44 0.162 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.21 -82.6 0.57 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.622 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.95 17.7 6.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.06 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -135.12 179.44 6.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.878 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 tp -177.01 73.79 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.985 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.41 ' HA ' ' HB3' ' A' ' 10' ' ' LYS . 6.5 mt -66.85 103.53 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -94.89 -82.11 0.38 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.44 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -134.54 -37.05 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.98 -178.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mp -87.8 -46.62 9.28 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.403 0.62 . . . . 0.0 109.596 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 6' ' ' ILE . 2.3 mttt -44.81 -36.68 3.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.417 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -73.07 -40.74 64.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.242 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.436 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . . . -71.59 -45.47 62.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' O ' ' CD1' ' A' ' 17' ' ' ILE . 5.0 mtpm? -69.18 -51.8 34.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.77 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -52.34 -42.26 63.74 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.054 0.454 . . . . 0.0 110.371 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.4 -33.07 70.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.355 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.57 -45.93 66.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.051 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.438 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 4.2 mp -74.86 -51.28 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-O 120.933 0.397 . . . . 0.0 110.726 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HA ' HG21 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -53.45 -49.04 68.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.685 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.29 -44.61 88.6 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.454 ' CD2' ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -63.21 -31.1 72.17 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.49 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 17' ' ' ILE . 37.4 t -73.03 -35.32 48.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.839 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -90.36 -18.09 26.13 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.506 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.36 -48.69 3.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.688 0.28 . . . . 0.0 111.486 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.2 77.62 0.69 Allowed Glycine 0 C--O 1.226 -0.366 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.134 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.404 ' CG2' ' CG2' ' A' ' 49' ' ' ILE . 5.5 t -135.55 178.41 7.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.972 0.415 . . . . 0.0 111.051 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.88 95.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.551 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 2.1 mt-10 -54.18 -28.93 43.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.578 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -35.32 1.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.164 0.506 . . . . 0.0 110.543 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.455 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -71.11 -43.01 68.5 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.334 179.029 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.504 HG21 ' N ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -60.69 -33.06 53.46 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.037 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.504 ' N ' HG21 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -66.59 -31.48 72.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.773 178.814 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tp -69.32 -31.73 70.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.807 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 30' ' ' ILE . 0.7 OUTLIER -74.59 -29.86 24.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.06 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.429 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -51.62 -30.37 21.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.906 0.384 . . . . 0.0 111.244 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.58 -3.11 50.29 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.38 134.44 45.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.818 0.342 . . . . 0.0 111.262 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.32 -30.28 9.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.989 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.96 140.54 36.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.509 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 m -54.63 -43.27 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.261 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -47.93 82.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.031 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.18 -30.34 54.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.464 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.407 ' CG1' ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -81.02 -50.34 17.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.892 0.377 . . . . 0.0 110.405 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.436 ' CZ2' ' HA ' ' A' ' 12' ' ' ALA . 83.0 m95 -61.06 -27.83 68.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.498 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.6 m -74.77 -47.15 32.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.231 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.408 ' CB ' HG21 ' A' ' 33' ' ' ILE . 48.9 mt -56.6 -52.28 65.45 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.232 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.44 -52.32 65.06 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.186 0.517 . . . . 0.0 110.528 179.526 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -63.6 -24.74 67.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.389 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.22 -29.07 64.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.199 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 29' ' ' TYR . 1.2 mt -81.07 -34.76 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.194 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -28.99 61.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.918 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p -101.6 -29.34 12.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.2 t80 61.34 23.46 13.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 t -172.35 165.81 5.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.816 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.8 t -129.98 37.4 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.5 t -141.4 31.82 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.944 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 47.7 p . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.842 0.353 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.1 p 56.76 30.05 17.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.853 0.359 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -74.49 174.17 9.33 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.808 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -128.29 178.34 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.994 0.426 . . . . 0.0 111.078 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.16 160.38 35.46 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.008 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mt -56.34 90.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.056 0.455 . . . . 0.0 111.109 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -74.32 -78.91 0.09 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -147.95 31.35 0.86 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.851 0.358 . . . . 0.0 110.956 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -87.94 -44.52 10.97 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.29 -36.84 2.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.509 179.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -72.14 -42.25 66.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.432 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.474 ' CB ' ' CZ3' ' A' ' 43' ' ' TRP . . . -70.41 -45.77 65.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.68 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 mtmm -60.93 -36.14 78.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.495 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -73.85 -34.05 64.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.431 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -37.53 44.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.614 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.51 -48.77 79.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.708 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.426 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 2.4 tp -63.59 -49.95 80.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.85 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HA ' HG22 ' A' ' 21' ' ' VAL . 17.1 ttpt -51.89 -48.82 63.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -58.52 -43.16 89.06 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -66.11 -29.27 69.56 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.684 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 17' ' ' ILE . 30.1 t -74.6 -35.5 38.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.092 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -90.46 -18.11 25.95 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.604 0.24 . . . . 0.0 111.428 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.42 -56.08 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 111.401 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.548 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 109.57 -82.8 0.31 Allowed Glycine 0 C--O 1.225 -0.442 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.06 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t 41.91 -166.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.79 106.1 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.625 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.48 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -61.52 -30.52 70.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.476 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.26 -32.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.079 0.466 . . . . 0.0 110.734 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.482 ' CG ' HG12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -70.72 -41.87 71.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.424 179.459 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.504 HG23 ' N ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -57.57 -31.71 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.785 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.504 ' N ' HG23 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -68.37 -31.58 71.05 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.266 178.055 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.02 -31.87 66.61 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.729 179.211 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -71.99 -29.72 34.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.351 -179.739 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.473 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.39 -30.56 52.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.022 0.439 . . . . 0.0 111.166 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.1 -3.0 26.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.172 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.433 ' CB ' HG21 ' A' ' 42' ' ' VAL . . . -38.52 -33.15 0.09 Allowed 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.82 -71.96 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.69 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.8 p -70.81 129.82 40.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.546 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.404 ' HA ' HG23 ' A' ' 42' ' ' VAL . 8.9 m -50.56 -51.61 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.684 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -46.71 83.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.203 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.75 -25.98 52.86 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.901 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.433 HG21 ' CB ' ' A' ' 36' ' ' ALA . 1.2 t -77.58 -50.16 20.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.825 0.345 . . . . 0.0 110.985 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.474 ' CZ3' ' CB ' ' A' ' 12' ' ' ALA . 0.8 OUTLIER -56.73 -33.17 66.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 48' ' ' GLU . 5.8 t -75.22 -39.43 60.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.347 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.9 mt -57.81 -51.55 69.11 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.141 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -62.36 -54.42 40.71 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.05 0.453 . . . . 0.0 110.42 179.445 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -27.89 69.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.884 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 44' ' ' THR . 7.0 mt-10 -61.53 -40.32 94.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.45 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.482 HG12 ' CG ' ' A' ' 29' ' ' TYR . 1.0 OUTLIER -70.86 -36.7 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.58 179.697 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -61.78 -29.89 70.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.6 -15.02 27.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.181 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.85 22.36 6.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.738 0.304 . . . . 0.0 111.3 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.5 t -72.42 -40.81 66.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.88 0.371 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.3 t 59.13 89.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.167 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.0 p -149.57 143.99 25.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 . . . . . 0 C--O 1.254 1.29 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.975 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 15.0 p . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.654 0.264 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.7 p -72.01 -64.35 0.96 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.949 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -173.92 -41.34 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.012 0.434 . . . . 0.0 111.193 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 6' ' ' ILE . 1.7 mptt -83.87 1.83 41.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.687 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.409 ' HG ' ' CD1' ' A' ' 6' ' ' ILE . 20.6 tp 59.86 -83.24 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.246 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.409 ' CD1' ' HG ' ' A' ' 5' ' ' LEU . 3.4 mt -116.96 120.96 66.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 120.976 0.417 . . . . 0.0 110.725 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.1 mp -98.15 -57.44 2.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -149.52 29.81 0.76 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -88.0 -46.15 9.6 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.374 0.607 . . . . 0.0 109.519 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.5 -37.2 2.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.486 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -71.22 -44.75 64.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.373 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.428 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -68.91 -44.38 73.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.044 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -64.63 -51.7 61.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.537 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -50.02 -43.28 50.67 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.719 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.57 -33.21 72.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.517 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.48 -48.65 68.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.451 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 4.1 mp -72.06 -50.77 34.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.856 179.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -53.02 -48.87 67.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.111 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -58.88 -43.35 90.88 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -65.72 -32.6 74.25 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 177.766 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 17' ' ' ILE . 39.2 t -70.42 -35.41 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.363 179.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -71.81 -17.93 62.13 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.982 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.89 -77.81 0.45 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.861 0.363 . . . . 0.0 111.307 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.489 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 142.17 -71.32 0.41 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.05 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t 41.69 -166.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.076 0.465 . . . . 0.0 112.169 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.25 96.97 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.859 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' O ' ' CG2' ' A' ' 30' ' ' ILE . 2.8 mt-10 -55.24 -29.13 57.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.918 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -44.57 -34.91 2.31 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.119 0.485 . . . . 0.0 110.732 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.442 ' CG ' HG12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -70.55 -41.59 72.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.223 179.421 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.543 HG22 ' N ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -58.52 -31.98 44.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 109.506 -0.554 . . . . 0.0 109.506 179.04 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.543 ' N ' HG22 ' A' ' 30' ' ' ILE . 10.5 tttt -69.46 -31.43 69.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.599 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.84 -31.78 69.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.691 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.426 HG21 ' HA ' ' A' ' 30' ' ' ILE . 0.7 OUTLIER -75.3 -29.54 21.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.253 -179.602 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.415 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -37.9 -40.08 0.42 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 111.392 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -109.74 -30.72 7.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.247 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 39.73 -112.89 0.14 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.923 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm 179.35 -40.23 0.01 OUTLIER 'General case' 0 C--O 1.231 0.106 0 CA-C-O 121.165 0.507 . . . . 0.0 110.078 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.69 -163.87 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.233 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -76.83 -54.92 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.909 0.385 . . . . 0.0 111.083 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -65.52 -30.47 71.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.4 -35.09 83.68 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.023 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 t -78.59 -46.46 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.534 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.428 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 89.6 m95 -60.01 -28.11 67.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.436 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 48' ' ' GLU . 57.8 m -78.56 -35.77 45.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.116 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 33' ' ' ILE . 8.3 mt -62.97 -51.66 66.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.068 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.412 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -64.98 -41.95 94.98 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.051 0.453 . . . . 0.0 110.359 179.362 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -71.93 -24.58 61.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.835 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -69.57 -31.47 69.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.743 -179.906 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.442 HG12 ' CG ' ' A' ' 29' ' ' TYR . 0.7 OUTLIER -81.6 -39.14 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.76 179.785 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -29.19 67.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.4 p -99.71 -39.5 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.73 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 60.34 23.38 12.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.06 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.0 t -162.93 141.37 8.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.873 0.368 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -131.01 146.09 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.077 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.7 p -76.77 -46.04 26.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.917 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.807 0.336 . . . . 0.0 111.4 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.71 163.66 27.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.984 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -81.27 131.93 35.32 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.744 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -112.88 27.46 9.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.76 96.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.048 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mt -110.88 109.58 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.03 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.17 -74.64 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -174.7 89.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.89 -42.02 12.8 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.417 0.627 . . . . 0.0 109.377 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -46.61 -36.82 7.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.254 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -69.12 -39.39 78.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.164 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.449 ' CB ' ' CZ3' ' A' ' 43' ' ' TRP . . . -73.7 -45.12 54.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.685 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -58.45 -51.16 71.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.655 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.31 -37.81 78.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.489 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.67 -33.98 74.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.446 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.402 ' CB ' ' CD1' ' A' ' 33' ' ' ILE . . . -60.26 -47.76 84.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.718 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.419 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 2.6 tp -73.18 -50.39 31.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.427 ' HA ' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -55.35 -48.71 73.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.474 179.665 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -56.53 -43.58 79.99 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -64.93 -33.48 76.12 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 177.698 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' A' ' 18' ' ' LYS . 34.6 t -70.82 -34.93 58.09 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.676 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.24 -24.11 27.95 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.364 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.76 -75.61 0.62 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.804 0.335 . . . . 0.0 111.193 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.54 111.37 3.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.253 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.419 HG23 HD13 ' A' ' 20' ' ' LEU . 4.7 t -162.95 -167.44 1.51 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.934 0.397 . . . . 0.0 111.121 -179.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.13 84.7 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.101 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' ILE . 5.1 pt-20 -48.62 -29.05 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.164 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 3.8 tptp -44.88 -41.26 6.97 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.479 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -62.19 -35.85 80.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.063 0.458 . . . . 0.0 109.766 179.382 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.588 ' HA ' HG21 ' A' ' 33' ' ' ILE . 3.0 mm -64.23 -31.98 55.61 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.689 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -63.84 -31.19 72.28 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.129 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tp -72.71 -32.86 66.06 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.76 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.588 HG21 ' HA ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -70.12 -29.59 40.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.223 -179.694 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.452 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.45 -29.58 50.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.903 0.382 . . . . 0.0 111.044 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -96.86 -3.24 42.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.249 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.48 132.48 13.5 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.945 0.402 . . . . 0.0 111.312 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -115.68 29.57 7.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.475 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -162.43 134.86 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.628 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.0 m -54.27 -36.6 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.155 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -75.31 -36.39 61.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.075 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.0 -28.35 73.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.562 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.11 -51.58 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.361 . . . . 0.0 110.682 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.449 ' CZ3' ' CB ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -58.28 -29.14 65.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.543 179.446 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' GLU . 24.8 p -77.33 -45.09 27.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.216 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.428 ' CB ' HG22 ' A' ' 33' ' ' ILE . 64.0 mt -54.92 -51.11 67.08 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.395 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.407 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 1.9 pttp -65.0 -51.23 62.82 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.999 0.428 . . . . 0.0 110.785 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -64.8 -24.65 67.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.014 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' THR . 12.5 mt-10 -68.12 -39.25 82.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.693 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 29' ' ' TYR . 1.3 mt -69.62 -40.42 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.679 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.74 -26.18 66.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.018 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.0 m -78.23 -47.89 16.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.785 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.48 ' CG ' ' N ' ' A' ' 53' ' ' THR . 0.1 OUTLIER -159.15 -156.88 0.55 Allowed 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.956 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.48 ' N ' ' CG ' ' A' ' 52' ' ' PHE . 3.8 t -179.62 69.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.772 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.5 t -116.94 133.35 63.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 m 62.71 88.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.805 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 33.7 p . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.713 0.292 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m -105.31 50.79 0.77 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.045 0.45 . . . . 0.0 110.63 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -66.51 174.39 2.81 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.617 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -137.52 -174.4 3.75 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.77 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.7 150.75 15.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.888 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mt -77.91 89.36 1.09 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.143 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.5 mp -74.51 -76.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.844 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -127.61 30.39 5.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.812 0.339 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mp -88.03 -46.74 9.08 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.92 -36.55 3.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.395 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -82.34 -39.29 23.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.262 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.437 ' CB ' ' CZ3' ' A' ' 43' ' ' TRP . . . -64.75 -48.96 72.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.851 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -69.3 -51.48 36.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.759 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -48.72 -37.76 19.65 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.538 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.404 ' OE1' ' CZ2' ' A' ' 43' ' ' TRP . 4.3 mt-10 -74.68 -33.15 62.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.504 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.404 ' CB ' ' CD1' ' A' ' 33' ' ' ILE . . . -54.36 -44.93 72.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.038 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.432 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 4.0 mp -75.86 -48.27 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.787 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' HA ' HG21 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -55.99 -48.77 75.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.642 179.875 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.81 -44.52 90.83 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 178.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -61.9 -37.49 84.82 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.584 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.448 HG21 ' HA ' ' A' ' 18' ' ' LYS . 49.7 t -62.65 -35.1 68.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.74 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -67.84 -23.25 65.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.884 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -130.4 -82.34 0.54 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.79 0.328 . . . . 0.0 111.268 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.468 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 150.79 -75.03 0.25 Allowed Glycine 0 CA--C 1.517 0.184 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.112 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.415 ' CG2' HD11 ' A' ' 20' ' ' LEU . 6.0 t 40.08 -163.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.163 0.506 . . . . 0.0 112.174 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.73 101.8 6.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.463 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -58.13 -29.2 65.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.756 179.714 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.28 -30.97 5.33 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.94 0.4 . . . . 0.0 110.31 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.441 ' CD2' HG12 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -61.42 -34.92 76.21 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.719 179.072 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.555 ' HA ' HG23 ' A' ' 33' ' ' ILE . 2.7 mm -70.58 -31.86 47.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.697 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -59.51 -30.97 68.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.335 178.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.06 -36.0 41.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.977 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.555 HG23 ' HA ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -65.65 -29.53 47.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.444 -179.693 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.46 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -41.13 -43.22 2.21 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.907 0.384 . . . . 0.0 111.051 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -106.07 -30.7 9.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.061 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 38.67 -94.57 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.084 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 164.44 -33.83 0.0 OUTLIER 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.078 0.466 . . . . 0.0 109.901 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.11 175.11 11.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.249 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.3 m -54.75 -47.33 74.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 111.052 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -69.32 -40.38 77.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.84 -34.87 57.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.188 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.402 ' CG1' ' HB ' ' A' ' 33' ' ' ILE . 1.7 t -74.11 -49.97 30.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.95 0.405 . . . . 0.0 110.112 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.437 ' CZ3' ' CB ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -56.38 -29.83 61.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.143 179.101 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' GLU . 56.3 m -69.27 -54.17 16.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.3 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.424 ' CB ' ' CG2' ' A' ' 33' ' ' ILE . 4.4 mm? -51.41 -54.39 27.14 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.648 0.261 . . . . 0.0 111.362 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.412 ' HE2' ' CD1' ' A' ' 43' ' ' TRP . 7.5 pttt -60.63 -55.16 36.62 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.853 0.359 . . . . 0.0 111.353 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.94 -32.93 73.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.879 0.371 . . . . 0.0 111.029 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -58.42 -33.81 70.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.178 179.801 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.441 HG12 ' CD2' ' A' ' 29' ' ' TYR . 2.0 mt -76.38 -32.73 22.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.587 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -69.18 -49.38 57.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.787 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -20.13 63.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.158 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.454 ' O ' ' CG2' ' A' ' 53' ' ' THR . 16.1 t80 -96.44 26.99 4.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.14 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.454 ' CG2' ' O ' ' A' ' 52' ' ' PHE . 7.9 t 51.02 172.97 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.596 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.07 99.7 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.7 p -140.96 -47.75 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.747 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.146 -0.93 . . . . 0.0 110.826 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 29.2 m . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.544 0.211 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.4 p 54.04 38.83 29.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.367 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -133.49 167.33 20.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.8 mtpp -79.56 61.61 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.108 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 61.91 30.88 18.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.338 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.8 mt -121.85 115.65 47.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.3 mp -106.69 -65.81 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.961 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -179.2 -34.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.199 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.56 -42.05 13.01 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.361 0.6 . . . . 0.0 109.431 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -36.98 4.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.287 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -66.26 -42.76 88.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.359 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.43 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -74.82 -42.99 56.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.878 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -62.89 -48.51 78.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.37 -45.35 93.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.31 -35.71 81.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.47 94.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.445 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -77.46 -41.85 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.586 179.888 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.466 ' HA ' HG23 ' A' ' 21' ' ' VAL . 34.4 tttm -63.2 -48.88 76.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.363 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -56.75 -45.61 81.92 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.447 ' CD1' HD11 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -59.37 -34.52 72.5 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.397 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.466 HG23 ' HA ' ' A' ' 18' ' ' LYS . 60.2 t -67.05 -35.41 74.48 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.475 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.95 -22.43 27.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.68 -70.7 0.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.401 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.7 90.71 2.03 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.177 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 t -149.81 -171.21 3.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.955 0.407 . . . . 0.0 110.975 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.44 87.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.334 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -49.64 -28.86 6.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.052 179.754 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.439 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -43.66 -38.59 3.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.977 0.418 . . . . 0.0 111.08 179.774 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.455 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -59.93 -37.77 80.45 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.588 ' HA ' HG21 ' A' ' 33' ' ' ILE . 2.3 mm -63.98 -33.05 59.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.798 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 10.4 tptm -60.69 -31.24 70.5 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -31.64 61.58 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.534 178.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.588 HG21 ' HA ' ' A' ' 30' ' ' ILE . 0.5 OUTLIER -70.35 -29.53 39.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.676 -179.384 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.487 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.88 -33.14 61.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.954 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -99.69 -2.8 34.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.996 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.426 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -35.87 -35.4 0.06 Allowed 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 36' ' ' ALA . 6.7 mttm 66.68 -66.26 0.19 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.175 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 36' ' ' ALA . 0.4 OUTLIER -78.6 133.91 37.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.562 179.471 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.7 t -54.71 -49.81 65.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.493 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -47.4 82.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.179 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.46 -28.74 51.79 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.789 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.446 ' CG1' ' HB ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -74.38 -49.66 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.719 -179.866 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.43 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 72.6 m95 -56.18 -28.78 59.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -75.09 -53.5 8.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.297 -179.717 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.491 ' CB ' HG22 ' A' ' 33' ' ' ILE . 91.4 mt -48.14 -49.12 33.39 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.332 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.435 ' HA ' HD11 ' A' ' 49' ' ' ILE . 6.6 ttmt -63.06 -55.55 24.53 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.164 0.507 . . . . 0.0 110.298 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -24.57 65.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.206 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' THR . 3.8 tm-20 -66.65 -46.71 74.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.765 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 29' ' ' TYR . 1.1 mt -63.69 -43.23 98.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.725 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -26.35 66.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.131 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.6 p -89.61 -24.46 21.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.197 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -104.84 26.3 9.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.174 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.479 ' O ' ' O ' ' A' ' 54' ' ' VAL . 14.9 t -118.67 -159.81 0.77 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.479 ' O ' ' O ' ' A' ' 53' ' ' THR . 15.9 m 46.54 113.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 121.332 0.587 . . . . 0.0 112.431 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.6 m 70.44 153.96 0.12 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.016 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.863 -179.894 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 120.766 0.317 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.1 t 43.01 92.26 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.44 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -70.67 163.1 27.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.015 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.88 -169.47 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tp -172.54 117.37 0.34 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.042 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mt -90.91 118.35 35.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.048 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 mp -108.64 -58.01 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.044 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -179.94 -35.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.077 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.68 -43.53 11.86 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.415 0.626 . . . . 0.0 109.405 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.52 -36.91 4.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.487 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -71.29 -38.89 71.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.328 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.472 ' CB ' ' CZ3' ' A' ' 43' ' ' TRP . . . -74.39 -44.12 53.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.869 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -56.84 -51.29 69.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.83 -34.72 79.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.634 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.93 -43.79 82.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.71 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.2 -40.82 86.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.459 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -77.77 -42.34 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.558 179.679 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.423 ' HA ' HG23 ' A' ' 21' ' ' VAL . 16.9 ttpp -61.74 -48.72 79.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.394 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.78 -45.3 90.11 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 24' ' ' GLY . 0.4 OUTLIER -60.56 -35.29 75.69 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.673 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.459 ' CG2' ' O ' ' A' ' 17' ' ' ILE . 64.0 t -63.15 -35.33 71.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.868 178.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.23 -22.73 64.77 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.012 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -132.41 -83.28 0.49 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.548 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.578 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 151.77 -78.3 0.21 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.025 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER 42.75 -174.37 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.289 0.566 . . . . 0.0 112.224 179.289 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.46 97.63 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.151 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 14.4 tt0 -56.76 -29.3 62.47 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.668 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -46.15 -38.22 7.94 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.006 0.432 . . . . 0.0 111.125 179.824 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.436 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -57.61 -36.66 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.174 0.511 . . . . 0.0 109.863 179.122 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.479 ' HA ' HG21 ' A' ' 33' ' ' ILE . 2.5 mm -65.63 -39.84 86.18 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.547 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 11.0 tptm -51.53 -30.99 22.42 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.34 -31.88 60.71 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.81 178.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.526 HG23 ' HB2' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -63.47 -29.86 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.033 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.474 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -57.43 -35.94 70.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 110.765 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.8 -2.81 57.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.121 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.12 -31.73 0.14 Allowed 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.51 -70.49 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.918 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.425 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 76.0 p -79.63 -179.46 6.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.359 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.8 m -88.79 -46.29 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 111.392 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.4 -45.82 87.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.281 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.88 -28.01 57.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.965 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.436 ' CG1' ' HB ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -76.77 -52.88 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.324 . . . . 0.0 110.825 -179.859 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.472 ' CZ3' ' CB ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -56.68 -29.29 62.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.747 179.719 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.1 m -73.61 -48.96 28.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.249 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.526 ' HB2' HG23 ' A' ' 33' ' ' ILE . 70.0 mt -53.89 -52.14 61.47 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.489 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 4.0 pttp -61.41 -53.2 59.61 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.891 0.377 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.69 -30.27 71.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.51 -34.53 75.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.452 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.436 ' CD1' ' HB3' ' A' ' 29' ' ' TYR . 1.4 mt -76.46 -33.77 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.708 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -66.65 -40.81 88.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.1 m -70.65 -38.22 73.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.977 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -172.47 178.71 2.68 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.5 p -145.0 -82.92 0.15 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.673 0.273 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.5 m -164.6 149.18 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 120.953 0.406 . . . . 0.0 110.949 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.2 p -127.87 141.68 51.49 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.88 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.798 0.332 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 m -114.01 104.25 11.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -156.37 93.1 1.37 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.08 36.67 4.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 68.85 -67.66 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.037 179.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.9 mt -58.64 88.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.147 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.475 ' O ' ' CB ' ' A' ' 8' ' ' ASN . 2.3 tp -131.71 146.98 52.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 0.9 OUTLIER 85.42 -16.64 0.46 Allowed 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.331 -179.8 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.89 -39.76 14.53 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.7 -36.56 3.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.959 178.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -74.32 -42.13 59.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.146 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.479 ' CB ' ' CZ3' ' A' ' 43' ' ' TRP . . . -64.67 -46.24 83.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.637 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -63.32 -40.98 98.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.507 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -70.13 -34.11 72.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.132 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.408 ' OE1' ' CZ2' ' A' ' 43' ' ' TRP . 25.1 tt0 -76.95 -35.2 57.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.45 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.19 -49.32 78.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.617 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.7 tp -67.09 -47.47 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.11 0.481 . . . . 0.0 110.571 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.492 ' HA ' HG22 ' A' ' 21' ' ' VAL . 8.8 ttmm -54.08 -48.7 70.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.705 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -58.26 -44.46 88.38 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 24' ' ' GLY . 0.4 OUTLIER -61.66 -38.08 86.42 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.528 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.492 HG22 ' HA ' ' A' ' 18' ' ' LYS . 44.3 t -62.53 -35.19 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.196 179.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -70.87 -20.2 62.55 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.03 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.89 -83.86 0.55 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.494 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 153.62 -79.97 0.19 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.293 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.453 ' CG2' HD12 ' A' ' 20' ' ' LEU . 5.8 t 40.33 -163.6 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.74 109.51 14.22 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.553 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.478 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 2.1 pp20? -63.0 -28.6 70.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.233 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -47.23 -28.81 2.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.047 0.451 . . . . 0.0 110.184 179.239 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.474 ' CG ' HG12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -62.63 -36.53 83.1 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.864 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.506 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.1 mp -62.96 -40.76 90.19 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 177.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -53.71 -31.04 46.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.443 178.321 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.92 -31.99 45.46 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.061 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 30' ' ' ILE . 0.9 OUTLIER -75.26 -29.8 21.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.522 -179.42 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.437 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -55.12 -29.29 57.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 110.939 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -105.84 -2.79 22.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.158 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.417 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -37.63 -33.37 0.07 Allowed 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? 67.04 -70.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.807 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -73.47 137.37 44.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.579 179.652 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.1 m -53.62 -46.66 61.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.508 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.85 -45.46 94.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.122 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.28 -24.84 53.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.817 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.417 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -83.32 -53.11 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.916 0.389 . . . . 0.0 110.785 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.479 ' CZ3' ' CB ' ' A' ' 12' ' ' ALA . 0.8 OUTLIER -58.95 -31.76 69.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.798 179.851 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' GLU . 15.1 t -76.14 -40.58 52.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.26 -179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.443 ' CD1' ' HA ' ' A' ' 33' ' ' ILE . 30.0 mt -56.81 -52.2 65.97 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.84 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -52.67 63.1 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.925 0.393 . . . . 0.0 110.695 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.38 -31.18 71.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.711 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' THR . 14.1 tt0 -59.02 -35.24 72.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.178 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.474 HG12 ' CG ' ' A' ' 29' ' ' TYR . 2.1 mt -74.79 -35.63 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.517 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -70.17 -43.07 71.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.9 m -81.08 -27.48 35.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.1 t80 63.16 26.15 15.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.073 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 57.75 87.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 m -133.4 99.6 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.2 m -141.46 43.53 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.773 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.243 -0.885 . . . . 0.0 110.947 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.823 0.344 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -160.18 136.35 8.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.979 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -92.78 172.23 8.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.708 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -120.76 -3.03 9.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.507 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 61.76 -167.69 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.861 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.498 HD11 ' N ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -63.24 94.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.178 179.668 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -109.14 -48.94 3.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.741 0.305 . . . . 0.0 111.054 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -144.79 78.55 1.57 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.167 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -87.81 -43.38 11.89 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -45.12 -36.69 3.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.359 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.84 -44.96 72.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.099 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.417 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -67.76 -46.16 72.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.573 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -62.16 -51.4 67.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.561 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -62.42 -36.49 82.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.414 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.8 -33.3 66.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.438 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.403 ' CB ' ' CD1' ' A' ' 33' ' ' ILE . . . -58.59 -49.33 77.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.685 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.411 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 1.6 tp -64.36 -46.14 93.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.181 0.515 . . . . 0.0 110.357 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HA ' HG22 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -55.69 -48.69 74.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.503 179.519 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.89 -44.92 78.65 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -62.91 -34.2 76.93 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 177.417 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.426 HG22 ' HA ' ' A' ' 18' ' ' LYS . 38.3 t -70.79 -35.27 59.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.767 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.34 -26.43 55.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.246 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.77 -79.24 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 111.295 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.19 59.02 0.3 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.315 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.408 ' CG2' ' CG2' ' A' ' 49' ' ' ILE . 13.9 t -107.48 175.99 5.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.948 0.404 . . . . 0.0 111.016 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.62 99.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.398 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 3.7 mt-10 -54.02 -29.24 42.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.38 -34.19 1.21 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.134 0.492 . . . . 0.0 110.338 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.448 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -72.52 -43.76 63.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.241 179.232 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.506 HG23 ' N ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -60.1 -32.75 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.129 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.506 ' N ' HG23 ' A' ' 30' ' ' ILE . 2.4 tmtt? -66.88 -32.13 73.19 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.592 178.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.51 -31.64 72.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.565 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -76.11 -29.49 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.354 -179.767 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.455 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -36.77 -44.56 0.49 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.961 0.41 . . . . 0.0 111.525 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.11 -30.78 8.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.305 179.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 40.29 -113.86 0.17 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.85 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.2 tttt 178.26 -39.59 0.01 OUTLIER 'General case' 0 C--O 1.23 0.073 0 CA-C-O 121.071 0.463 . . . . 0.0 110.09 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.08 171.63 16.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.31 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -54.93 -54.79 20.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.269 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.06 -41.47 99.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -53.12 -33.33 44.8 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.537 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 t -78.47 -50.63 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.874 0.369 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.417 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 92.7 m95 -57.11 -33.91 67.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 48' ' ' GLU . 14.8 t -74.97 -35.03 62.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.44 -53.04 62.29 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.122 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.445 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.85 -51.4 68.38 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.951 0.405 . . . . 0.0 110.334 179.32 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -62.86 -29.41 70.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.656 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 44' ' ' THR . 6.5 mt-10 -60.1 -37.49 80.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.301 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 29' ' ' TYR . 1.3 mt -73.95 -34.71 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.615 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -63.41 -31.63 72.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.9 m -101.91 -34.53 9.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.244 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -97.25 29.95 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.142 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -46.67 131.61 11.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.24 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.4 m -56.74 -22.21 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.599 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 m -64.35 80.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.8 0.333 . . . . 0.0 110.968 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.054 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 CA--C 1.515 -0.382 0 CA-C-O 121.505 0.669 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -45.22 -36.75 4.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.33 179.164 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -72.83 -40.95 65.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.221 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.687 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -67.72 -46.2 72.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.738 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.68 ' O ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -68.85 -51.51 39.63 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.151 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -49.46 -37.06 24.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.943 0.401 . . . . 0.0 110.594 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -70.7 -33.11 70.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.273 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -56.41 -43.48 79.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.879 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.993 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.2 mp -71.7 -51.21 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.432 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -48.74 71.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.617 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -57.27 -44.09 83.63 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.865 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -64.49 -31.67 72.98 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 177.572 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.993 HG23 ' O ' ' A' ' 17' ' ' ILE . 29.9 t -73.5 -35.2 44.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.693 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -86.0 -26.47 25.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.832 0.348 . . . . 0.0 111.217 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.56 -60.33 1.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.264 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.8 68.12 1.3 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.327 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.537 ' CG2' HG21 ' A' ' 49' ' ' ILE . 12.9 t -121.83 -170.94 2.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.122 0.487 . . . . 0.0 111.378 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.34 99.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.168 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.939 ' O ' HG22 ' A' ' 30' ' ' ILE . 1.0 OUTLIER -56.32 -28.93 60.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.988 -179.713 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.02 -34.68 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.129 0.49 . . . . 0.0 110.337 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.562 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -72.33 -41.03 66.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.382 179.193 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.939 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -60.11 -32.11 49.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.336 0.588 . . . . 0.0 109.43 178.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -68.65 -31.6 70.85 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.537 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.68 -31.99 72.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.612 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.782 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -74.77 -29.79 23.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.042 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.427 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -51.3 -27.66 10.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.065 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.49 -13.72 25.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.276 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.749 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -46.83 132.85 11.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.421 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -104.61 -31.23 9.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.684 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.658 ' O ' HG23 ' A' ' 42' ' ' VAL . 3.0 p -96.35 138.51 33.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.707 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.2 m -55.83 -40.43 61.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.296 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.35 -42.52 79.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.496 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.25 -30.03 63.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.458 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.749 HG22 ' HB1' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -80.39 -50.68 17.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.765 0.317 . . . . 0.0 110.486 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.687 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -58.07 -31.99 67.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.135 0.493 . . . . 0.0 110.486 179.377 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.3 m -73.48 -42.01 62.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.287 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.782 ' CB ' HG22 ' A' ' 33' ' ' ILE . 9.6 mt -57.74 -50.89 71.73 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.311 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.704 ' HA ' HD12 ' A' ' 49' ' ' ILE . 2.1 pttp -61.57 -51.85 66.87 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.015 0.436 . . . . 0.0 110.726 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -64.15 -32.42 73.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.711 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -57.9 -34.7 70.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.39 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.2 mt -77.26 -33.93 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.387 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -57.3 -32.67 66.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.641 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.907 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 9' ' ' LEU . 3.7 mm? . . . . . 0 CA--C 1.515 -0.399 0 CA-C-O 121.447 0.641 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.25 -36.4 2.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.509 179.002 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -78.32 -39.9 38.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.141 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.832 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -65.61 -48.18 73.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.728 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.69 ' O ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -68.27 -43.66 77.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.655 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -51.17 -39.63 56.8 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.489 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -33.2 65.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.445 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.56 -47.39 70.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.182 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 1.0 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.1 mp -74.16 -51.42 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.728 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.26 -49.02 67.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.81 -43.85 90.67 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.978 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -64.49 -31.04 72.09 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.687 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 1.0 HG23 ' O ' ' A' ' 17' ' ' ILE . 25.2 t -74.16 -35.51 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.982 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.94 -18.08 60.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.3 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.66 -71.35 0.62 Allowed 'General case' 0 C--O 1.238 0.46 0 CA-C-O 120.992 0.425 . . . . 0.0 111.334 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.577 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 136.92 -87.77 0.22 Allowed Glycine 0 N--CA 1.452 -0.267 0 N-CA-C 111.611 -0.596 . . . . 0.0 111.611 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.513 ' CG2' HG21 ' A' ' 49' ' ' ILE . 0.6 OUTLIER 46.93 179.18 0.01 OUTLIER 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 179.242 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.69 107.67 1.01 Allowed 'General case' 0 C--O 1.222 -0.368 0 CA-C-O 121.21 0.529 . . . . 0.0 110.682 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.978 ' HA ' HD21 ' A' ' 20' ' ' LEU . 3.5 mt-10 -64.8 -29.36 70.32 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.868 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -42.32 -34.8 0.85 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.074 0.464 . . . . 0.0 110.476 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.493 ' CG ' HG12 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -67.75 -43.69 79.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.498 179.422 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.9 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -56.22 -31.92 33.42 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.086 0 CA-C-O 121.327 0.584 . . . . 0.0 109.476 178.909 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -31.39 71.47 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.298 178.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -31.81 69.09 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.811 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.779 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -73.8 -29.7 26.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.365 -179.568 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.414 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -50.84 -27.15 6.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 111.243 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -109.46 -2.8 17.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.262 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.623 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -35.8 -37.21 0.09 Allowed 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 36' ' ' ALA . 1.1 mmmm 66.19 -66.37 0.17 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.836 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.554 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.3 p -72.6 133.95 44.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.6 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 t -54.9 -52.47 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.564 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 44' ' ' THR . 1.7 tp10 -59.15 -39.41 82.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.193 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.539 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -61.76 -27.53 68.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.828 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.623 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.4 OUTLIER -79.34 -50.6 17.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.86 0.362 . . . . 0.0 110.764 -179.805 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.832 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -54.5 -32.79 58.66 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.4 179.543 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 40' ' ' GLU . 82.1 p -73.54 -51.37 17.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.166 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.779 ' CB ' HG22 ' A' ' 33' ' ' ILE . 19.3 mt -47.62 -51.36 21.59 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.692 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.727 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -63.65 -46.47 85.48 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.174 0.512 . . . . 0.0 110.516 179.592 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -67.85 -24.58 65.28 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.344 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' THR . 2.1 tt0 -71.68 -31.13 66.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.988 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.1 mt -78.63 -37.46 20.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.872 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -26.4 60.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.99 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.7 p . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.898 179.824 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.454 HD12 HG21 ' A' ' 42' ' ' VAL . 4.6 mm? . . . . . 0 CA--C 1.516 -0.346 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.16 -36.64 3.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.265 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -65.92 -47.4 74.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.116 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.439 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -67.23 -45.33 77.09 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.62 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -60.99 -51.48 69.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.554 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -62.33 -33.3 74.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.453 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -76.52 -33.3 58.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.032 0.444 . . . . 0.0 110.347 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.776 ' HB1' HD11 ' A' ' 30' ' ' ILE . . . -58.75 -43.41 90.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.859 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.958 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.2 mm -72.23 -49.62 41.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.235 0.54 . . . . 0.0 110.352 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -54.12 -48.71 70.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.608 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -44.0 82.53 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.898 HD13 HG12 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -64.7 -33.16 75.3 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.7 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 17' ' ' ILE . 34.6 t -71.43 -35.22 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.705 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.73 -17.9 62.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.74 -77.22 0.51 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.429 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.539 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 144.97 -83.0 0.2 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.175 -179.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.462 ' CG2' HG21 ' A' ' 49' ' ' ILE . 0.6 OUTLIER 46.92 179.26 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.007 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.527 ' HB1' ' CD ' ' A' ' 28' ' ' LYS . . . -66.97 97.36 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.002 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.872 ' HA ' HD21 ' A' ' 20' ' ' LEU . 1.7 pt-20 -54.54 -28.72 47.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.329 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.527 ' CD ' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -42.34 -45.24 4.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.949 0.404 . . . . 0.0 110.751 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.441 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -63.09 -41.34 99.38 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.218 0.532 . . . . 0.0 109.721 178.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.898 HG12 HD13 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -54.5 -43.18 62.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.574 178.693 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.49 -31.35 67.77 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.715 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -33.61 75.92 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.351 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.724 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -73.99 -29.95 26.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.414 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -50.68 -26.26 5.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.529 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -99.88 -3.16 33.09 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 111.491 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.819 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -54.04 134.26 43.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.859 0.362 . . . . 0.0 111.306 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.5 ' HG2' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -102.14 -28.49 12.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.065 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 42' ' ' VAL . 36.4 p -110.45 143.56 40.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.751 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 40' ' ' GLU . 21.4 m -53.16 -45.69 54.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.334 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.478 ' N ' HG23 ' A' ' 39' ' ' VAL . 1.1 tt0 -55.89 -52.78 62.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.334 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.81 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -55.18 -28.15 48.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.733 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.819 HG22 ' HB1' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -84.33 -45.98 17.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.894 0.378 . . . . 0.0 110.692 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.439 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 79.8 m95 -63.42 -30.56 71.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.772 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.0 t -78.72 -40.74 32.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.285 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.81 ' HG ' ' O ' ' A' ' 41' ' ' GLY . 61.9 mt -58.59 -51.86 68.13 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.068 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.732 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -64.54 -44.57 90.4 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.948 0.404 . . . . 0.0 110.661 179.691 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -69.16 -24.74 64.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.139 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -71.99 -32.96 67.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.732 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.4 mt -77.97 -38.62 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.987 0.423 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -75.89 -29.23 58.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.803 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 CA--C 1.514 -0.424 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -44.4 -36.86 3.06 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.05 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -61.07 -47.52 85.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.711 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.805 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -68.15 -45.06 74.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.258 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HA ' ' CD1' ' A' ' 33' ' ' ILE . 9.6 mttt -56.86 -48.93 76.95 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.703 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.53 -34.15 68.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.576 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -71.75 -43.0 66.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.638 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.39 -49.24 67.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.972 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.2 tp -63.5 -49.08 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.431 ' N ' HG23 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -55.03 -48.89 72.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.792 179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.414 ' HB3' ' CE ' ' A' ' 50' ' ' LYS . 9.8 mm-40 -57.59 -43.85 84.94 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.895 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -63.94 -33.57 76.01 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.543 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.972 HG23 ' O ' ' A' ' 17' ' ' ILE . 38.9 t -70.5 -35.31 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.487 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -72.71 -23.22 60.83 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.87 -76.08 0.58 Allowed 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.33 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.492 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 141.36 -73.9 0.37 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.149 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.552 ' OG1' HG22 ' A' ' 49' ' ' ILE . 4.9 t 42.0 -165.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.67 103.12 8.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.632 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.908 ' O ' HG22 ' A' ' 30' ' ' ILE . 2.3 mt-10 -56.59 -31.03 63.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.229 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.31 -35.28 1.44 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.211 0.529 . . . . 0.0 110.784 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.49 ' CG ' HG12 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -69.66 -42.77 73.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.328 179.534 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.908 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -56.29 -31.83 33.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.88 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -68.83 -31.64 70.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.28 178.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.83 -32.01 72.26 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.716 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.775 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -75.93 -29.86 20.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 -179.724 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.424 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -53.33 -25.19 14.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.139 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.63 -3.09 33.92 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.407 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.709 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -52.92 134.85 37.31 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.914 0.387 . . . . 0.0 111.114 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.52 -30.6 11.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.592 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.565 ' O ' HG23 ' A' ' 42' ' ' VAL . 31.8 p -99.98 140.34 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.455 HG13 ' HZ3' ' A' ' 43' ' ' TRP . 49.0 t -56.07 -48.36 79.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.96 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.82 ' O ' HG23 ' A' ' 44' ' ' THR . 0.3 OUTLIER -62.86 -41.03 99.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.824 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.718 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -56.53 -30.95 59.64 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.595 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.709 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -77.92 -51.55 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.818 0.342 . . . . 0.0 110.832 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.805 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -57.39 -37.6 72.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.747 179.703 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.82 HG23 ' O ' ' A' ' 40' ' ' GLU . 50.7 p -67.88 -42.88 80.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.204 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.775 ' CB ' HG22 ' A' ' 33' ' ' ILE . 75.9 mt -55.37 -49.61 71.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.622 0.248 . . . . 0.0 111.152 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.733 ' HA ' HD12 ' A' ' 49' ' ' ILE . 6.2 pttp -66.68 -50.4 62.99 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.246 0.546 . . . . 0.0 110.68 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.92 -24.64 67.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.011 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' THR . 47.6 tt0 -70.63 -38.82 73.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.733 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.3 mt -69.04 -38.57 78.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.328 . . . . 0.0 110.739 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.414 ' CE ' ' HB3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -74.03 -26.48 60.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.086 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.7 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.968 179.918 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 9' ' ' LEU . 2.9 mm? . . . . . 0 CA--C 1.515 -0.394 0 CA-C-O 121.447 0.642 . . . . 0.0 109.443 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.56 -36.85 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.38 179.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -73.4 -41.63 63.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.205 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.808 ' HB1' ' HB ' ' A' ' 42' ' ' VAL . . . -68.9 -45.51 70.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.664 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.692 ' O ' HD12 ' A' ' 17' ' ' ILE . 19.2 mttm -67.18 -51.58 51.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.668 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -49.1 -41.66 36.41 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.62 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -70.35 -33.21 71.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.48 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.65 ' HB2' HD13 ' A' ' 33' ' ' ILE . . . -53.99 -45.25 71.39 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.975 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.975 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.2 mp -73.11 -51.26 27.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.993 0.425 . . . . 0.0 110.61 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -53.33 -48.72 68.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.771 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.71 -43.44 85.22 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.712 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -65.34 -31.12 72.08 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 177.705 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.975 HG23 ' O ' ' A' ' 17' ' ' ILE . 26.1 t -73.96 -35.32 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.873 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -86.42 -18.78 30.89 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.62 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.78 -59.01 2.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.59 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.71 118.46 2.84 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.347 -0.93 . . . . 0.0 111.66 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.684 ' CG2' HG21 ' A' ' 49' ' ' ILE . 15.3 t -170.85 -166.88 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.319 0.58 . . . . 0.0 111.364 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.74 88.23 0.06 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.144 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.712 ' HA ' HD21 ' A' ' 20' ' ' LEU . 7.0 pt-20 -47.51 -29.19 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.929 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -46.89 -38.09 9.9 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.047 0.451 . . . . 0.0 110.477 179.672 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.61 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -60.0 -35.08 74.27 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.166 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.68 ' CG1' HD13 ' A' ' 20' ' ' LEU . 2.0 mm -68.86 -33.88 61.53 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.741 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 2.7 tptt -56.59 -31.14 63.97 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -38.78 58.93 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.757 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.851 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -58.46 -29.69 39.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-O 120.624 0.25 . . . . 0.0 111.294 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.489 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -41.66 -44.74 3.22 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.228 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.19 -30.72 11.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.089 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.51 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . 37.66 -93.02 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.059 179.4 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.2 pttt 163.67 -33.72 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.251 0.548 . . . . 0.0 109.684 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.716 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -168.3 -174.91 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.953 179.811 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.486 HG12 ' HE1' ' A' ' 43' ' ' TRP . 12.7 t -59.21 -50.41 79.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.011 0.434 . . . . 0.0 110.788 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -67.43 -35.98 80.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.893 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.698 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -56.44 -34.92 64.37 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.3 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.808 ' HB ' ' HB1' ' A' ' 12' ' ' ALA . 1.5 t -76.3 -47.99 29.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.995 0.426 . . . . 0.0 110.24 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.486 ' HE1' HG12 ' A' ' 39' ' ' VAL . 42.0 m95 -54.93 -28.76 53.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.458 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 48' ' ' GLU . 38.1 m -76.28 -54.5 6.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.433 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.851 ' CB ' HG22 ' A' ' 33' ' ' ILE . 4.5 mm? -47.3 -54.52 10.81 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.616 0.246 . . . . 0.0 111.439 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.734 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -60.5 -55.14 37.04 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.925 0.393 . . . . 0.0 110.521 179.654 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' HA ' ' CG ' ' A' ' 50' ' ' LYS . 6.9 t70 -58.2 -24.67 59.94 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.224 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -70.97 -30.5 66.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.481 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 46' ' ' LYS . 2.5 mt -76.65 -38.03 30.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.9 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -80.74 -40.73 24.74 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.644 -0.423 . . . . 0.0 111.104 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.92 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.541 ' HG ' HG12 ' A' ' 39' ' ' VAL . 1.2 mp . . . . . 0 CA--C 1.513 -0.479 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.407 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -43.94 -36.56 2.48 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.953 178.736 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -71.73 -48.1 49.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.829 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.434 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . . . -58.88 -49.54 77.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.668 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.707 ' O ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -65.09 -51.86 58.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.749 179.676 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.416 ' HG2' ' HD2' ' A' ' 13' ' ' LYS . 1.5 mm-40 -51.86 -41.98 62.28 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.796 0.331 . . . . 0.0 110.591 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.45 ' HA ' ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -61.1 -33.9 74.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.226 179.553 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -61.29 -44.32 97.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.102 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.946 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.2 mp -74.63 -51.12 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.294 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.45 ' HG2' ' HA ' ' A' ' 15' ' ' GLU . 6.0 pttt -55.94 -48.74 75.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.764 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.434 ' N ' ' CG ' ' A' ' 18' ' ' LYS . 5.5 mm-40 -57.74 -43.97 85.72 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.857 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -63.12 -36.85 84.96 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 177.521 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.946 HG23 ' O ' ' A' ' 17' ' ' ILE . 48.3 t -64.25 -35.31 73.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.907 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.71 -19.68 61.36 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.092 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.0 -81.37 0.53 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.703 0.287 . . . . 0.0 111.473 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.494 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 148.23 -75.96 0.26 Allowed Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.263 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.467 ' OG1' HG22 ' A' ' 49' ' ' ILE . 2.7 t 42.49 -167.48 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.104 0.478 . . . . 0.0 112.256 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HB1' ' CE ' ' A' ' 28' ' ' LYS . . . -78.03 94.28 4.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.734 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.857 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -52.92 -29.21 27.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.256 -179.625 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.462 ' CE ' ' HB1' ' A' ' 26' ' ' ALA . 1.4 pttp -45.29 -38.13 5.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.126 0.489 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.649 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -60.49 -41.34 94.05 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.057 179.29 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.777 HG12 HD13 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -62.05 -41.61 91.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.897 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -31.04 16.46 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.021 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.463 ' HB3' HD13 ' A' ' 45' ' ' LEU . 1.4 tp -75.67 -31.79 59.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.953 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.704 ' HA ' HD12 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -62.83 -29.87 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 120.798 0.333 . . . . 0.0 110.825 -179.799 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.442 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.63 -32.05 58.3 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.992 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.98 -2.91 33.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.067 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.649 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -35.71 -36.87 0.08 Allowed 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.469 ' O ' HD21 ' A' ' 9' ' ' LEU . 9.2 tmtt? 69.28 -66.35 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.47 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -84.77 142.99 29.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.693 -179.835 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.541 HG12 ' HG ' ' A' ' 9' ' ' LEU . 19.4 m -56.13 -46.31 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.18 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.484 ' N ' HG23 ' A' ' 39' ' ' VAL . 2.3 tm-20 -60.96 -44.5 97.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.403 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -57.09 -27.75 57.69 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.656 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.649 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -77.76 -50.16 20.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.873 0.368 . . . . 0.0 110.604 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.434 ' CZ2' ' HA ' ' A' ' 12' ' ' ALA . 93.4 m95 -57.8 -29.78 65.17 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.671 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.8 m -74.77 -49.35 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.163 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 33' ' ' ILE . 37.4 mt -52.77 -53.97 40.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.518 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.661 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.04 -55.6 30.81 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 110.951 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.2 -33.04 71.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.044 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -56.97 -43.51 81.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.428 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.661 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.0 OUTLIER -66.79 -35.19 74.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.281 179.443 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 17.2 mmtt -65.19 -32.26 73.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.483 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.3 m . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.939 179.71 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.911 HD11 ' O ' ' A' ' 37' ' ' LYS . 4.3 mm? . . . . . 0 CA--C 1.516 -0.345 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.7 -36.66 5.13 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.447 179.19 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -63.69 -42.64 97.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.272 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.42 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -78.06 -42.63 31.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.808 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -60.51 -48.73 80.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.8 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.69 -37.13 86.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.712 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.493 ' HA ' ' HG2' ' A' ' 18' ' ' LYS . 1.3 tt0 -73.73 -33.22 64.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.95 76.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.506 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.911 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.8 tp -67.15 -51.38 54.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.7 0.286 . . . . 0.0 111.421 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.493 ' HG2' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -61.1 -40.42 93.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.849 179.583 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -57.85 -45.37 86.35 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 178.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.839 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -61.81 -36.12 80.2 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 177.041 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 17' ' ' ILE . 39.9 t -69.59 -35.0 64.12 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.05 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -75.06 -28.09 60.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.151 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.75 -71.6 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.298 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.19 75.06 0.91 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.248 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.578 ' CG2' HG21 ' A' ' 49' ' ' ILE . 13.9 t -126.0 -171.04 2.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.036 0.446 . . . . 0.0 111.267 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.526 ' HB1' ' HD3' ' A' ' 28' ' ' LYS . . . -56.59 95.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.021 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.866 ' O ' HG22 ' A' ' 30' ' ' ILE . 6.9 pm0 -54.06 -29.54 44.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.209 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.526 ' HD3' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -43.53 -32.96 1.01 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.132 0.492 . . . . 0.0 110.35 179.47 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.57 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -73.02 -42.97 62.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.298 179.113 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.866 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -56.53 -31.92 35.32 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.072 0 CA-C-O 121.334 0.588 . . . . 0.0 109.467 178.772 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -31.6 68.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.335 178.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.28 -31.94 70.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.474 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.794 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -74.52 -29.82 24.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.288 -179.751 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.408 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -53.3 -26.06 17.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.813 0.339 . . . . 0.0 111.082 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.24 -2.75 17.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.798 ' HB3' HG22 ' A' ' 42' ' ' VAL . . . -40.64 -30.82 0.13 Allowed 'General case' 0 C--O 1.231 0.12 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.911 ' O ' HD11 ' A' ' 9' ' ' LEU . 1.1 mtmt 65.47 -73.83 0.06 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.777 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.641 ' O ' HG23 ' A' ' 42' ' ' VAL . 69.7 p -66.71 125.27 25.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.541 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 40' ' ' GLU . 10.9 m -48.16 -45.71 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.407 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.423 ' N ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -60.31 -53.1 61.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.351 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.517 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -53.64 -25.43 28.58 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.937 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.798 HG22 ' HB3' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -76.98 -52.12 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 0.0 110.831 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 85.9 m95 -55.9 -28.47 56.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.798 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' GLU . 3.5 m -76.1 -47.46 24.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.794 ' CB ' HG22 ' A' ' 33' ' ' ILE . 30.9 mt -52.7 -48.53 66.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.425 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.762 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -65.87 -55.64 15.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.066 0.46 . . . . 0.0 110.664 179.631 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.35 -24.72 65.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.065 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 44' ' ' THR . 23.1 tt0 -69.68 -39.41 77.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.99 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.762 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.7 mt -67.17 -38.67 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.602 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -31.01 72.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.827 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.2 mm? . . . . . 0 CA--C 1.515 -0.399 0 CA-C-O 121.49 0.662 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -46.37 -36.98 6.94 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.316 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -67.59 -39.6 84.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.307 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.881 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -76.97 -43.83 33.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.753 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.32 -49.42 76.16 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.493 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.49 -34.33 77.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.018 0.437 . . . . 0.0 110.411 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.436 ' HA ' ' HG2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -73.8 -33.17 64.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.713 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.57 -36.58 76.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.353 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.942 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.6 tp -72.66 -50.58 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.613 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.438 ' N ' HG23 ' A' ' 17' ' ' ILE . 2.4 ptpt -58.52 -38.27 77.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.705 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 5.0 mm-40 -63.6 -42.36 98.25 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 178.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.76 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -66.21 -36.29 82.66 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.239 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 17' ' ' ILE . 44.4 t -65.4 -35.1 74.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 114.975 -1.012 . . . . 0.0 110.115 178.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.64 -18.1 60.59 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.342 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.16 -86.4 0.38 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.643 0.259 . . . . 0.0 111.579 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.488 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 156.82 -70.66 0.26 Allowed Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.232 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.708 ' OG1' HG22 ' A' ' 49' ' ' ILE . 3.4 t 42.41 -166.08 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.914 0.388 . . . . 0.0 111.903 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.79 96.01 6.84 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.051 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.76 ' HA ' HD21 ' A' ' 20' ' ' LEU . 1.5 mt-10 -53.65 -29.49 38.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.054 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 1.2 mptt -45.93 -35.89 5.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.185 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.647 ' O ' HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -65.04 -37.68 88.38 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 109.979 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.716 ' CG1' HD13 ' A' ' 20' ' ' LEU . 3.3 mm -62.22 -31.78 52.63 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-O 121.315 0.579 . . . . 0.0 109.68 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 1.8 ttpt -65.09 -31.07 72.1 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 177.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.34 -33.09 49.35 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.921 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.819 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -70.71 -29.73 39.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.363 -179.571 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.451 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.86 -26.35 34.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.97 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.77 -3.27 39.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.754 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -51.76 133.7 31.19 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.805 0.336 . . . . 0.0 111.223 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -101.59 -36.56 8.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.431 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.86 134.66 41.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.388 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.459 HG23 ' N ' ' A' ' 40' ' ' GLU . 11.8 m -50.33 -48.72 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.266 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.459 ' N ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -58.67 -37.2 75.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.011 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.528 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -63.0 -28.81 72.67 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.708 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.754 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -80.56 -51.02 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.692 0.282 . . . . 0.0 110.947 -179.837 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.881 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.8 OUTLIER -58.64 -32.04 68.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.584 179.66 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.591 HG22 ' OE1' ' A' ' 48' ' ' GLU . 37.2 m -72.56 -45.63 58.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.945 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.819 ' CB ' HG22 ' A' ' 33' ' ' ILE . 12.7 mt -53.14 -49.63 66.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.486 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 6.4 pttp -65.45 -49.63 68.4 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.038 0.446 . . . . 0.0 110.537 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.51 -24.49 66.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.725 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.591 ' OE1' HG22 ' A' ' 44' ' ' THR . 4.9 mt-10 -73.62 -30.16 62.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.817 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.708 HG22 ' OG1' ' A' ' 25' ' ' THR . 0.2 OUTLIER -75.03 -38.39 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.347 . . . . 0.0 110.474 179.603 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -68.64 -27.38 65.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.798 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.8 mm? . . . . . 0 CA--C 1.513 -0.47 0 CA-C-O 121.473 0.654 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.27 -37.07 6.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.023 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -72.16 -38.42 69.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.281 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.793 ' HB1' ' HB ' ' A' ' 42' ' ' VAL . . . -73.06 -42.33 63.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.835 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.5 tttt -73.67 -48.82 29.38 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.702 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -56.67 -43.45 80.43 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.899 0.381 . . . . 0.0 110.466 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.73 -33.34 74.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.51 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.41 -37.95 76.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.84 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.98 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.3 mm -73.6 -51.42 25.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.437 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -53.63 -48.67 69.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.671 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -57.56 -42.72 83.57 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.919 HD13 HD11 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -66.37 -30.56 70.97 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 177.744 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.98 HG23 ' O ' ' A' ' 17' ' ' ILE . 23.2 t -74.72 -35.22 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.984 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -91.17 -17.82 25.47 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.604 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.88 -47.89 2.94 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.83 0.308 . . . . 0.0 111.83 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.42 98.3 0.19 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.111 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.513 ' OG1' HG22 ' A' ' 49' ' ' ILE . 5.1 t -146.64 -167.09 2.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.22 0.533 . . . . 0.0 111.326 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.502 ' HB3' ' CG2' ' A' ' 49' ' ' ILE . . . -60.01 88.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.888 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.719 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -53.0 -29.4 29.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.111 -179.773 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 4.3 mttt -44.69 -35.71 2.78 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.783 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -64.68 -38.52 91.29 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.602 -0.439 . . . . 0.0 109.931 179.601 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.919 HD11 HD13 ' A' ' 20' ' ' LEU . 2.8 mm -59.22 -32.06 47.43 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.166 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 8.1 tmtt? -64.74 -31.23 72.35 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 177.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.5 -35.34 34.81 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.485 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.811 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -73.86 -30.07 27.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.722 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.99 -25.45 21.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.948 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -102.15 -2.94 28.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.199 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.698 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -43.55 121.87 2.46 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.797 0.332 . . . . 0.0 111.646 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.84 26.22 5.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.583 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -162.38 133.53 5.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.491 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.599 HG12 ' NE1' ' A' ' 43' ' ' TRP . 8.9 t -54.22 -42.41 56.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.069 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.91 -42.05 81.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.634 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.58 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -57.21 -28.72 59.1 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.489 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.793 ' HB ' ' HB1' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -80.45 -45.25 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.695 0.283 . . . . 0.0 110.6 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.599 ' NE1' HG12 ' A' ' 39' ' ' VAL . 22.8 m95 -58.66 -34.04 70.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.549 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.497 HG22 ' HG3' ' A' ' 48' ' ' GLU . 9.5 m -74.28 -47.15 36.7 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.267 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.811 ' CB ' HG22 ' A' ' 33' ' ' ILE . 50.2 mt -50.64 -51.77 45.92 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.45 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.598 ' HA ' HD12 ' A' ' 49' ' ' ILE . 9.0 pttt -63.44 -48.34 78.14 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.117 0.484 . . . . 0.0 110.484 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 46' ' ' LYS . 1.2 t70 -64.11 -24.65 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.908 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.497 ' HG3' HG22 ' A' ' 44' ' ' THR . 1.7 mt-10 -71.16 -30.46 66.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.21 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.783 HD11 ' HB3' ' A' ' 29' ' ' TYR . 0.8 OUTLIER -78.84 -36.88 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.747 179.722 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -64.91 -29.81 70.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.941 0.401 . . . . 0.0 110.395 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.626 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.442 HD21 ' O ' ' A' ' 36' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.515 -0.366 0 CA-C-O 121.299 0.571 . . . . 0.0 109.468 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.49 -37.08 3.26 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.355 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -76.02 -38.82 56.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.456 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.468 ' HB1' ' HB ' ' A' ' 42' ' ' VAL . . . -72.43 -43.35 63.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.189 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -61.42 -49.28 77.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.821 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.86 -34.59 77.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.684 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -78.9 -35.79 42.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.77 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.6 -49.27 75.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.951 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.3 tp -69.9 -48.06 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.728 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.457 ' N ' HG23 ' A' ' 17' ' ' ILE . 47.6 tttp -54.43 -48.82 71.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.69 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -56.72 -44.41 81.59 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.784 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -63.82 -36.76 84.96 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.558 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.951 HG23 ' O ' ' A' ' 17' ' ' ILE . 41.1 t -65.27 -35.34 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.377 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.8 -20.26 63.46 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.95 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -132.41 -80.48 0.5 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.336 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.456 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 148.96 -75.5 0.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.382 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 24' ' ' GLY . 5.0 t 42.48 -165.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.871 0.367 . . . . 0.0 111.947 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.561 ' HB1' ' HD3' ' A' ' 28' ' ' LYS . . . -80.31 103.05 9.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.815 ' O ' HG22 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -57.7 -29.46 64.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.061 -179.848 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.561 ' HD3' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -43.82 -32.07 0.98 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.108 0.48 . . . . 0.0 110.29 179.533 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.583 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -73.19 -46.87 48.1 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.188 179.098 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.841 HD13 ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -59.45 -35.39 58.51 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-O 121.26 0.553 . . . . 0.0 109.535 179.028 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -31.41 72.57 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.714 178.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -32.41 72.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.579 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.769 HG22 ' HB2' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -72.34 -29.86 33.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.445 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -52.63 -27.47 17.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.116 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -98.75 -3.24 36.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.327 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.74 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -52.18 134.85 32.83 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.905 0.383 . . . . 0.0 111.275 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -102.96 -30.96 10.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.541 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.62 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -102.81 141.95 34.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.501 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 40' ' ' GLU . 15.4 m -54.6 -48.14 71.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.301 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.464 ' N ' HG23 ' A' ' 39' ' ' VAL . 2.4 tt0 -59.26 -47.65 84.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.999 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.458 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -53.84 -30.36 44.4 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.582 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.74 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -78.81 -54.89 11.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.954 0.407 . . . . 0.0 110.657 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.418 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 94.3 m95 -60.05 -27.35 66.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.7 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 48' ' ' GLU . 86.1 m -72.98 -47.14 47.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.769 ' HB2' HG22 ' A' ' 33' ' ' ILE . 87.3 mt -57.5 -52.3 65.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.318 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.687 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -60.45 -53.38 58.31 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.016 0.436 . . . . 0.0 110.655 179.7 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -63.11 -27.97 69.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.87 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' THR . 7.4 mt-10 -61.91 -35.32 78.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.564 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -77.23 -34.93 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.588 179.714 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -59.85 -44.95 93.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.824 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.0 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.891 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.486 ' CD1' HG21 ' A' ' 42' ' ' VAL . 3.8 mm? . . . . . 0 CA--C 1.515 -0.376 0 CA-C-O 121.443 0.639 . . . . 0.0 109.581 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.4 -37.1 2.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.816 -1.083 . . . . 0.0 110.528 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -71.42 -43.12 67.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.579 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.432 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -71.41 -43.54 66.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.937 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.439 ' O ' HG22 ' A' ' 17' ' ' ILE . 14.8 mttp -56.38 -42.13 77.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.004 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -68.58 -34.46 75.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.65 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.54 -35.54 53.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.808 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.614 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -60.73 -49.43 77.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.967 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.4 tp -65.29 -49.47 78.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.739 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.446 ' N ' HG23 ' A' ' 17' ' ' ILE . 2.0 tppt? -54.13 -48.7 70.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.549 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.18 -44.57 83.66 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.94 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -64.02 -32.37 73.9 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.622 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.967 HG23 ' O ' ' A' ' 17' ' ' ILE . 26.4 t -72.56 -35.53 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.017 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -85.56 -23.78 27.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.267 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.87 -58.78 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.319 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.08 51.2 3.24 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.217 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.786 ' CG2' HG21 ' A' ' 49' ' ' ILE . 14.7 t -103.38 -170.72 1.83 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.309 0.575 . . . . 0.0 111.211 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.88 100.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.314 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.94 ' HA ' HD21 ' A' ' 20' ' ' LEU . 13.8 pt-20 -56.19 -29.45 60.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.107 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -43.7 -32.64 1.04 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.314 0.578 . . . . 0.0 110.329 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.698 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -70.21 -44.41 68.69 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.566 179.386 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.908 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -60.42 -33.86 55.72 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 CA-C-O 121.109 0.48 . . . . 0.0 109.801 179.299 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -31.52 72.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.618 178.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.66 -31.71 65.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.483 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.614 HD13 ' CB ' ' A' ' 16' ' ' ALA . 0.7 OUTLIER -69.93 -29.73 41.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.244 -179.717 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.479 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -57.23 -29.53 63.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.938 0.399 . . . . 0.0 110.84 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.69 -2.88 22.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.15 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.672 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -33.82 -37.32 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 69.54 -65.98 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.706 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -80.1 138.64 36.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 179.823 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.8 t -54.88 -54.84 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.461 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -39.7 76.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.018 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.813 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.89 -29.75 65.3 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.65 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.672 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -76.41 -52.36 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.391 . . . . 0.0 110.993 -179.69 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 88.7 m95 -57.57 -33.4 68.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.325 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.412 HG22 ' C ' ' A' ' 41' ' ' GLY . 14.0 t -75.06 -33.08 61.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.456 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.813 ' HG ' ' O ' ' A' ' 41' ' ' GLY . 82.3 mt -64.22 -52.33 59.36 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.016 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.631 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -60.52 -47.84 84.4 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.225 0.536 . . . . 0.0 109.854 179.032 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.452 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 5.4 m-20 -65.47 -29.56 70.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.377 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.45 -37.35 75.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.176 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.786 HG21 ' CG2' ' A' ' 25' ' ' THR . 1.2 mt -74.76 -35.75 37.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.629 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -60.1 -50.69 72.69 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.781 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.045 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.514 -0.43 0 CA-C-O 121.403 0.62 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -44.81 -36.68 3.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.417 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -73.07 -40.74 64.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.242 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.611 ' HB1' ' HB ' ' A' ' 42' ' ' VAL . . . -71.59 -45.47 62.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.683 ' O ' HD12 ' A' ' 17' ' ' ILE . 5.0 mtpm? -69.18 -51.8 34.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.77 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -52.34 -42.26 63.74 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.054 0.454 . . . . 0.0 110.371 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.4 -33.07 70.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.355 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -52.57 -45.93 66.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.051 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.985 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.2 mp -74.86 -51.28 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-O 120.933 0.397 . . . . 0.0 110.726 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -49.04 68.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.685 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.401 ' HG3' ' HE2' ' A' ' 46' ' ' LYS . 5.5 mm-40 -58.29 -44.61 88.6 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.908 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -63.21 -31.1 72.17 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.49 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 17' ' ' ILE . 37.4 t -73.03 -35.32 48.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.839 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -90.36 -18.09 26.13 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.506 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.36 -48.69 3.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.688 0.28 . . . . 0.0 111.486 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.2 77.62 0.69 Allowed Glycine 0 C--O 1.226 -0.366 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.134 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.609 ' CG2' HG21 ' A' ' 49' ' ' ILE . 5.5 t -135.55 178.41 7.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.972 0.415 . . . . 0.0 111.051 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.586 ' HB1' ' HD3' ' A' ' 28' ' ' LYS . . . -46.88 95.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.551 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.908 ' HA ' HD21 ' A' ' 20' ' ' LEU . 2.1 mt-10 -54.18 -28.93 43.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.578 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.586 ' HD3' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -43.27 -35.32 1.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.164 0.506 . . . . 0.0 110.543 179.345 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.516 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -71.11 -43.01 68.5 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.334 179.029 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.897 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -60.69 -33.06 53.46 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.037 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.59 -31.48 72.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.773 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tp -69.32 -31.73 70.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.807 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.761 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -74.59 -29.86 24.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.06 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.425 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -51.62 -30.37 21.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.906 0.384 . . . . 0.0 111.244 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.58 -3.11 50.29 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.765 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -54.38 134.44 45.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.818 0.342 . . . . 0.0 111.262 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.32 -30.28 9.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.989 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.61 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -101.96 140.54 36.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.509 179.296 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 m -54.63 -43.27 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.261 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -47.93 82.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.031 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.431 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -55.18 -30.34 54.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.464 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.765 HG22 ' HB1' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -81.02 -50.34 17.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.892 0.377 . . . . 0.0 110.405 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.43 ' CZ2' ' HA ' ' A' ' 12' ' ' ALA . 83.0 m95 -61.06 -27.83 68.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.498 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.6 m -74.77 -47.15 32.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.231 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.761 ' CB ' HG22 ' A' ' 33' ' ' ILE . 48.9 mt -56.6 -52.28 65.45 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.232 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.745 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.44 -52.32 65.06 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.186 0.517 . . . . 0.0 110.528 179.526 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -63.6 -24.74 67.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.389 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.22 -29.07 64.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.199 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.2 mt -81.07 -34.76 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.194 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -28.99 61.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.918 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.9 179.95 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.64 HD11 ' O ' ' A' ' 37' ' ' LYS . 3.2 mm? . . . . . 0 CA--C 1.516 -0.354 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.29 -36.84 2.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.509 179.044 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -72.14 -42.25 66.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.432 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.933 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -70.41 -45.77 65.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.68 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.603 ' O ' HG22 ' A' ' 17' ' ' ILE . 4.8 mtmm -60.93 -36.14 78.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.495 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -73.85 -34.05 64.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.431 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -37.53 44.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.614 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.606 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -61.51 -48.77 79.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.708 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.972 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.4 tp -63.59 -49.95 80.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.85 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.447 ' N ' HG23 ' A' ' 17' ' ' ILE . 17.1 ttpt -51.89 -48.82 63.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -58.52 -43.16 89.06 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.0 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -66.11 -29.27 69.56 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.684 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.972 HG23 ' O ' ' A' ' 17' ' ' ILE . 30.1 t -74.6 -35.5 38.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.092 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -90.46 -18.11 25.95 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.604 0.24 . . . . 0.0 111.428 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.42 -56.08 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 111.401 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.555 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 109.57 -82.8 0.31 Allowed Glycine 0 C--O 1.225 -0.442 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.06 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.548 ' OG1' HG22 ' A' ' 49' ' ' ILE . 3.2 t 41.91 -166.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.477 ' HB1' ' CD ' ' A' ' 28' ' ' LYS . . . -74.79 106.1 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.625 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 1.0 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -61.52 -30.52 70.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.476 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.477 ' CD ' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -44.26 -32.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.079 0.466 . . . . 0.0 110.734 179.67 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.598 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -70.72 -41.87 71.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.424 179.459 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.911 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -57.57 -31.71 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.785 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.37 -31.58 71.05 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.266 178.055 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.02 -31.87 66.61 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.729 179.211 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.812 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -71.99 -29.72 34.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.351 -179.739 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.472 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.39 -30.56 52.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.022 0.439 . . . . 0.0 111.166 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.1 -3.0 26.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.172 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.753 ' HB3' HG22 ' A' ' 42' ' ' VAL . . . -38.52 -33.15 0.09 Allowed 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.64 ' O ' HD11 ' A' ' 9' ' ' LEU . 0.1 OUTLIER 66.82 -71.96 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.69 -179.843 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.601 ' O ' HG23 ' A' ' 42' ' ' VAL . 17.8 p -70.81 129.82 40.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.546 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 40' ' ' GLU . 8.9 m -50.56 -51.61 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.684 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -57.35 -46.71 83.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.203 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.818 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -56.75 -25.98 52.86 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.901 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.753 HG22 ' HB3' ' A' ' 36' ' ' ALA . 1.2 t -77.58 -50.16 20.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.825 0.345 . . . . 0.0 110.985 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.933 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.8 OUTLIER -56.73 -33.17 66.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.422 HG22 ' C ' ' A' ' 41' ' ' GLY . 5.8 t -75.22 -39.43 60.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.347 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.818 ' HG ' ' O ' ' A' ' 41' ' ' GLY . 63.9 mt -57.81 -51.55 69.11 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.141 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.666 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -62.36 -54.42 40.71 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.05 0.453 . . . . 0.0 110.42 179.445 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -27.89 69.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.884 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.462 ' OE1' HD23 ' A' ' 45' ' ' LEU . 7.0 mt-10 -61.53 -40.32 94.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.45 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.0 OUTLIER -70.86 -36.7 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.58 179.697 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -61.78 -29.89 70.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.5 mm? . . . . . 0 CA--C 1.516 -0.348 0 CA-C-O 121.374 0.607 . . . . 0.0 109.519 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.5 -37.2 2.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.486 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -71.22 -44.75 64.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.373 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.731 ' HB1' ' HB ' ' A' ' 42' ' ' VAL . . . -68.91 -44.38 73.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.044 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.69 ' O ' HD12 ' A' ' 17' ' ' ILE . 4.7 tttp -64.63 -51.7 61.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.537 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -50.02 -43.28 50.67 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.719 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.57 -33.21 72.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.517 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -53.48 -48.65 68.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.149 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.987 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.1 mp -72.06 -50.77 34.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.856 179.639 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -53.02 -48.87 67.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.111 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -58.88 -43.35 90.88 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.866 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -65.72 -32.6 74.25 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 177.766 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 17' ' ' ILE . 39.2 t -70.42 -35.41 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.363 179.127 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -71.81 -17.93 62.13 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.982 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.89 -77.81 0.45 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.861 0.363 . . . . 0.0 111.307 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.499 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 142.17 -71.32 0.41 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.05 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.569 ' OG1' HG22 ' A' ' 49' ' ' ILE . 4.2 t 41.69 -166.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.076 0.465 . . . . 0.0 112.169 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.25 96.97 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.859 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.945 ' O ' HG22 ' A' ' 30' ' ' ILE . 2.8 mt-10 -55.24 -29.13 57.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.918 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -44.57 -34.91 2.31 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.119 0.485 . . . . 0.0 110.732 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.595 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -70.55 -41.59 72.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.223 179.421 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.945 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -58.52 -31.98 44.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 109.506 -0.554 . . . . 0.0 109.506 179.04 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -69.46 -31.43 69.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.599 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.84 -31.78 69.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.691 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.783 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -75.3 -29.54 21.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.253 -179.602 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.408 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -37.9 -40.08 0.42 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 111.392 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -109.74 -30.72 7.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.247 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.736 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . 39.73 -112.89 0.14 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.923 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm 179.35 -40.23 0.01 OUTLIER 'General case' 0 C--O 1.231 0.106 0 CA-C-O 121.165 0.507 . . . . 0.0 110.078 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.67 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -146.69 -163.87 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.233 179.67 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -76.83 -54.92 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.909 0.385 . . . . 0.0 111.083 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -65.52 -30.47 71.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.506 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -59.4 -35.09 83.68 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.023 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.794 ' HA ' HD12 ' A' ' 45' ' ' LEU . 2.1 t -78.59 -46.46 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.534 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 89.6 m95 -60.01 -28.11 67.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.436 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.603 HG22 ' HG3' ' A' ' 48' ' ' GLU . 57.8 m -78.56 -35.77 45.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.116 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' A' ' 42' ' ' VAL . 8.3 mt -62.97 -51.66 66.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.068 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.689 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -64.98 -41.95 94.98 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.051 0.453 . . . . 0.0 110.359 179.362 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -71.93 -24.58 61.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.835 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.603 ' HG3' HG22 ' A' ' 44' ' ' THR . 0.2 OUTLIER -69.57 -31.47 69.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.743 -179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -81.6 -39.14 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.76 179.785 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -29.19 67.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.73 179.778 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.9 mm? . . . . . 0 CA--C 1.516 -0.348 0 CA-C-O 121.417 0.627 . . . . 0.0 109.377 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -46.61 -36.82 7.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.254 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -69.12 -39.39 78.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.164 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.9 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -73.7 -45.12 54.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.685 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -58.45 -51.16 71.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.655 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.31 -37.81 78.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.489 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.67 -33.98 74.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.446 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.511 ' HB2' HD13 ' A' ' 33' ' ' ILE . . . -60.26 -47.76 84.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.718 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.964 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.6 tp -73.18 -50.39 31.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.492 ' N ' HG23 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -55.35 -48.71 73.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.474 179.665 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -56.53 -43.58 79.99 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.761 HD13 ' CG1' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -64.93 -33.48 76.12 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 177.698 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.964 HG23 ' O ' ' A' ' 17' ' ' ILE . 34.6 t -70.82 -34.93 58.09 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.676 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.24 -24.11 27.95 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.364 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.428 ' HB3' ' NZ ' ' A' ' 50' ' ' LYS . . . -109.76 -75.61 0.62 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.804 0.335 . . . . 0.0 111.193 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.54 111.37 3.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.253 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.524 HG23 HG21 ' A' ' 49' ' ' ILE . 4.7 t -162.95 -167.44 1.51 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.934 0.397 . . . . 0.0 111.121 -179.401 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.13 84.7 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.101 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.675 ' HA ' HD21 ' A' ' 20' ' ' LEU . 5.1 pt-20 -48.62 -29.05 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.164 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 3.8 tptp -44.88 -41.26 6.97 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.706 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -62.19 -35.85 80.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.063 0.458 . . . . 0.0 109.766 179.382 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.761 ' CG1' HD13 ' A' ' 20' ' ' LEU . 3.0 mm -64.23 -31.98 55.61 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.689 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -63.84 -31.19 72.28 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.129 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tp -72.71 -32.86 66.06 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.76 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.793 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -70.12 -29.59 40.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.223 -179.694 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.457 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.45 -29.58 50.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.903 0.382 . . . . 0.0 111.044 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.86 -3.24 42.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.249 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.699 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -47.48 132.48 13.5 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.945 0.402 . . . . 0.0 111.312 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -115.68 29.57 7.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.475 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.674 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -162.43 134.86 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.628 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.0 m -54.27 -36.6 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.155 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.576 ' O ' HG23 ' A' ' 44' ' ' THR . 16.3 tp10 -75.31 -36.39 61.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.075 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.663 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -65.0 -28.35 73.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.562 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.699 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -83.11 -51.58 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.361 . . . . 0.0 110.682 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.9 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -58.28 -29.14 65.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.543 179.446 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 40' ' ' GLU . 24.8 p -77.33 -45.09 27.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.216 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.793 ' CB ' HG22 ' A' ' 33' ' ' ILE . 64.0 mt -54.92 -51.11 67.08 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.395 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.697 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.9 pttp -65.0 -51.23 62.82 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.999 0.428 . . . . 0.0 110.785 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -64.8 -24.65 67.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.014 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' THR . 12.5 mt-10 -68.12 -39.25 82.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.693 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.706 HD11 ' HB3' ' A' ' 29' ' ' TYR . 1.3 mt -69.62 -40.42 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.679 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.428 ' NZ ' ' HB3' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -66.74 -26.18 66.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.018 -179.883 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.0 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.785 179.858 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.53 HD23 ' HE3' ' A' ' 13' ' ' LYS . 1.7 mp . . . . . 0 CA--C 1.517 -0.317 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.92 -36.55 3.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.395 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -82.34 -39.29 23.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.262 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.701 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -64.75 -48.96 72.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.851 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.686 ' O ' HD12 ' A' ' 17' ' ' ILE . 17.3 mttt -69.3 -51.48 36.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.759 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -48.72 -37.76 19.65 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.538 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.404 ' OE1' ' CZ2' ' A' ' 43' ' ' TRP . 4.3 mt-10 -74.68 -33.15 62.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.504 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.539 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -54.36 -44.93 72.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.038 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.967 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.0 mp -75.86 -48.27 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.787 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -48.77 75.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.642 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.81 -44.52 90.83 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 178.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.917 HD13 HD11 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -61.9 -37.49 84.82 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.584 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.967 HG23 ' O ' ' A' ' 17' ' ' ILE . 49.7 t -62.65 -35.1 68.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.74 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -67.84 -23.25 65.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.884 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -130.4 -82.34 0.54 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.79 0.328 . . . . 0.0 111.268 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.484 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 150.79 -75.03 0.25 Allowed Glycine 0 CA--C 1.517 0.184 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.112 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.666 HG21 HG21 ' A' ' 49' ' ' ILE . 6.0 t 40.08 -163.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.163 0.506 . . . . 0.0 112.174 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.73 101.8 6.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.746 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -58.13 -29.2 65.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.756 179.714 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.28 -30.97 5.33 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.94 0.4 . . . . 0.0 110.31 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.712 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -61.42 -34.92 76.21 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.719 179.072 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.917 HD11 HD13 ' A' ' 20' ' ' LEU . 2.7 mm -70.58 -31.86 47.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.697 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -59.51 -30.97 68.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.335 178.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.06 -36.0 41.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.977 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.863 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -65.65 -29.53 47.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.444 -179.693 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.462 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -41.13 -43.22 2.21 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.907 0.384 . . . . 0.0 111.051 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -106.07 -30.7 9.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.061 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.571 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . 38.67 -94.57 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.084 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 164.44 -33.83 0.0 OUTLIER 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.078 0.466 . . . . 0.0 109.901 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.779 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -163.11 175.11 11.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.249 179.774 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 40' ' ' GLU . 16.3 m -54.75 -47.33 74.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.464 ' N ' HG23 ' A' ' 39' ' ' VAL . 33.3 tt0 -69.32 -40.38 77.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.602 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -54.84 -34.87 57.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.188 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 38' ' ' THR . 1.7 t -74.11 -49.97 30.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.95 0.405 . . . . 0.0 110.112 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.701 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -56.38 -29.83 61.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.143 179.101 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.3 m -69.27 -54.17 16.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.3 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.863 ' CB ' HG22 ' A' ' 33' ' ' ILE . 4.4 mm? -51.41 -54.39 27.14 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.648 0.261 . . . . 0.0 111.362 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.755 ' HA ' HD12 ' A' ' 49' ' ' ILE . 7.5 pttt -60.63 -55.16 36.62 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.853 0.359 . . . . 0.0 111.353 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.94 -32.93 73.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.879 0.371 . . . . 0.0 111.029 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -33.81 70.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.178 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 46' ' ' LYS . 2.0 mt -76.38 -32.73 22.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.587 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -69.18 -49.38 57.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.787 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.158 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 9' ' ' LEU . 3.9 mm? . . . . . 0 CA--C 1.516 -0.339 0 CA-C-O 121.361 0.6 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -36.98 4.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.287 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -66.26 -42.76 88.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.359 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.534 ' HB1' ' HB ' ' A' ' 42' ' ' VAL . . . -74.82 -42.99 56.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.878 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -62.89 -48.51 78.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.37 -45.35 93.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.31 -35.71 81.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.605 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -60.16 -42.47 94.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.987 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -77.46 -41.85 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.586 179.888 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.401 ' O ' ' HB ' ' A' ' 21' ' ' VAL . 34.4 tttm -63.2 -48.88 76.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.363 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -56.75 -45.61 81.92 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.748 HD13 HD11 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -59.37 -34.52 72.5 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.397 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 17' ' ' ILE . 60.2 t -67.05 -35.41 74.48 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.475 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.95 -22.43 27.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.415 ' HB2' ' HE2' ' A' ' 50' ' ' LYS . . . -100.68 -70.7 0.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.401 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.7 90.71 2.03 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.177 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.566 ' CG2' HG21 ' A' ' 49' ' ' ILE . 2.4 t -149.81 -171.21 3.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.955 0.407 . . . . 0.0 110.975 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.44 87.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.334 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.718 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.64 -28.86 6.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.052 179.754 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -43.66 -38.59 3.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.977 0.418 . . . . 0.0 111.08 179.774 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.601 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -59.93 -37.77 80.45 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.748 HD11 HD13 ' A' ' 20' ' ' LEU . 2.3 mm -63.98 -33.05 59.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.798 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 10.4 tptm -60.69 -31.24 70.5 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -31.64 61.58 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.534 178.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.611 HG22 ' HB2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -70.35 -29.53 39.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.676 -179.384 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.492 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.88 -33.14 61.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.954 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -99.69 -2.8 34.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.996 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.718 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -35.87 -35.4 0.06 Allowed 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 36' ' ' ALA . 6.7 mttm 66.68 -66.26 0.19 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.175 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.55 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -78.6 133.91 37.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.562 179.471 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.496 HG12 ' HE1' ' A' ' 43' ' ' TRP . 13.7 t -54.71 -49.81 65.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.493 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -47.4 82.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.179 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.574 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -55.46 -28.74 51.79 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.789 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.718 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -74.38 -49.66 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.719 -179.866 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.496 ' HE1' HG12 ' A' ' 39' ' ' VAL . 72.6 m95 -56.18 -28.78 59.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -75.09 -53.5 8.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.297 -179.717 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.611 ' HB2' HG22 ' A' ' 33' ' ' ILE . 91.4 mt -48.14 -49.12 33.39 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.332 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.583 ' HA ' HD12 ' A' ' 49' ' ' ILE . 6.6 ttmt -63.06 -55.55 24.53 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.164 0.507 . . . . 0.0 110.298 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -24.57 65.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.206 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 44' ' ' THR . 3.8 tm-20 -66.65 -46.71 74.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.765 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.601 HD11 ' HB3' ' A' ' 29' ' ' TYR . 1.1 mt -63.69 -43.23 98.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.725 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -60.46 -26.35 66.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.131 -179.797 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.6 p . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.197 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 CA--C 1.516 -0.358 0 CA-C-O 121.415 0.626 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.52 -36.91 4.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.487 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -71.29 -38.89 71.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.328 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.955 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -74.39 -44.12 53.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.869 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -56.84 -51.29 69.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.83 -34.72 79.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.634 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.93 -43.79 82.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.71 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.522 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -59.2 -40.82 86.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 1.018 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -77.77 -42.34 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.558 179.679 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' HB ' ' A' ' 21' ' ' VAL . 16.9 ttpp -61.74 -48.72 79.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.394 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.78 -45.3 90.11 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.715 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -60.56 -35.29 75.69 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.673 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 1.018 HG23 ' O ' ' A' ' 17' ' ' ILE . 64.0 t -63.15 -35.33 71.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.868 178.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.23 -22.73 64.77 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.012 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -132.41 -83.28 0.49 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.548 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.587 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 151.77 -78.3 0.21 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.025 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.548 ' CG2' HG21 ' A' ' 49' ' ' ILE . 0.9 OUTLIER 42.75 -174.37 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.289 0.566 . . . . 0.0 112.224 179.289 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.46 97.63 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.151 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.715 ' HA ' HD21 ' A' ' 20' ' ' LEU . 14.4 tt0 -56.76 -29.3 62.47 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.668 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -46.15 -38.22 7.94 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.006 0.432 . . . . 0.0 111.125 179.824 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.561 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -57.61 -36.66 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.174 0.511 . . . . 0.0 109.863 179.122 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.71 HD11 HD13 ' A' ' 20' ' ' LEU . 2.5 mm -65.63 -39.84 86.18 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.547 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 11.0 tptm -51.53 -30.99 22.42 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.34 -31.88 60.71 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.81 178.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.676 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -63.47 -29.86 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.033 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.481 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -57.43 -35.94 70.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 110.765 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.8 -2.81 57.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.121 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.643 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -40.12 -31.73 0.14 Allowed 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.51 -70.49 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.918 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.425 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 76.0 p -79.63 -179.46 6.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.359 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 40' ' ' GLU . 34.8 m -88.79 -46.29 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 111.392 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.495 ' N ' HG23 ' A' ' 39' ' ' VAL . 1.4 mt-10 -58.4 -45.82 87.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.281 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.88 -28.01 57.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.965 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.643 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -76.77 -52.88 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.324 . . . . 0.0 110.825 -179.859 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.955 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -56.68 -29.29 62.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.747 179.719 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.431 HG22 ' HG3' ' A' ' 48' ' ' GLU . 23.1 m -73.61 -48.96 28.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.249 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 33' ' ' ILE . 70.0 mt -53.89 -52.14 61.47 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.489 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.725 ' HA ' HD12 ' A' ' 49' ' ' ILE . 4.0 pttp -61.41 -53.2 59.61 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.891 0.377 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.69 -30.27 71.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.431 ' HG3' HG22 ' A' ' 44' ' ' THR . 1.5 mm-40 -61.51 -34.53 75.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.452 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.4 mt -76.46 -33.77 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.708 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -66.65 -40.81 88.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.1 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.977 -179.912 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.9 mm? . . . . . 0 CA--C 1.516 -0.352 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.7 -36.56 3.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.959 178.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -74.32 -42.13 59.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.146 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.919 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -64.67 -46.24 83.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.637 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -63.32 -40.98 98.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.507 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -70.13 -34.11 72.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.132 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.408 ' OE1' ' CZ2' ' A' ' 43' ' ' TRP . 25.1 tt0 -76.95 -35.2 57.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.45 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.5 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -60.19 -49.32 78.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.617 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.898 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.7 tp -67.09 -47.47 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.11 0.481 . . . . 0.0 110.571 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.449 ' N ' HG23 ' A' ' 17' ' ' ILE . 8.8 ttmm -54.08 -48.7 70.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.705 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -58.26 -44.46 88.38 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.823 HD13 ' CD1' ' A' ' 30' ' ' ILE . 0.4 OUTLIER -61.66 -38.08 86.42 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.528 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 17' ' ' ILE . 44.3 t -62.53 -35.19 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.196 179.163 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -70.87 -20.2 62.55 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.03 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.89 -83.86 0.55 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.504 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 153.62 -79.97 0.19 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.293 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.608 HG21 HG21 ' A' ' 49' ' ' ILE . 5.8 t 40.33 -163.6 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.74 109.51 14.22 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.553 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.674 ' HA ' HD21 ' A' ' 20' ' ' LEU . 2.1 pp20? -63.0 -28.6 70.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.233 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -47.23 -28.81 2.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.047 0.451 . . . . 0.0 110.184 179.239 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.615 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -62.63 -36.53 83.1 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.864 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.823 ' CD1' HD13 ' A' ' 20' ' ' LEU . 1.1 mp -62.96 -40.76 90.19 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 177.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -53.71 -31.04 46.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.443 178.321 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.92 -31.99 45.46 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.061 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.772 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -75.26 -29.8 21.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.522 -179.42 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.438 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -55.12 -29.29 57.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 110.939 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -105.84 -2.79 22.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.158 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.651 ' HB3' HG22 ' A' ' 42' ' ' VAL . . . -37.63 -33.37 0.07 Allowed 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? 67.04 -70.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.807 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -73.47 137.37 44.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.579 179.652 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 40' ' ' GLU . 18.1 m -53.62 -46.66 61.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.508 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.469 ' N ' HG23 ' A' ' 39' ' ' VAL . 1.8 tt0 -60.85 -45.46 94.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.122 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.536 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -57.28 -24.84 53.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.817 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.651 HG22 ' HB3' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -83.32 -53.11 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.916 0.389 . . . . 0.0 110.785 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.919 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.8 OUTLIER -58.95 -31.76 69.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.798 179.851 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' GLU . 15.1 t -76.14 -40.58 52.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.26 -179.609 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.772 ' CB ' HG22 ' A' ' 33' ' ' ILE . 30.0 mt -56.81 -52.2 65.97 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.84 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.725 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.96 -52.67 63.1 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.925 0.393 . . . . 0.0 110.695 179.578 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.38 -31.18 71.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.711 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' THR . 14.1 tt0 -59.02 -35.24 72.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.178 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 46' ' ' LYS . 2.1 mt -74.79 -35.63 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.517 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -70.17 -43.07 71.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 CA--C 1.516 -0.346 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -45.12 -36.69 3.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.359 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.84 -44.96 72.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.099 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.418 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . . . -67.76 -46.16 72.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.573 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -62.16 -51.4 67.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.561 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -62.42 -36.49 82.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.414 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.8 -33.3 66.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.438 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.429 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -58.59 -49.33 77.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.685 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.961 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.6 tp -64.36 -46.14 93.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.181 0.515 . . . . 0.0 110.357 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.407 ' N ' HG23 ' A' ' 17' ' ' ILE . 0.6 OUTLIER -55.69 -48.69 74.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.503 179.519 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.89 -44.92 78.65 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.841 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -62.91 -34.2 76.93 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 177.417 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.961 HG23 ' O ' ' A' ' 17' ' ' ILE . 38.3 t -70.79 -35.27 59.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.767 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.34 -26.43 55.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.246 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.77 -79.24 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 111.295 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.19 59.02 0.3 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.315 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.684 ' CG2' HG21 ' A' ' 49' ' ' ILE . 13.9 t -107.48 175.99 5.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.948 0.404 . . . . 0.0 111.016 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.62 99.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.398 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.892 ' O ' HG22 ' A' ' 30' ' ' ILE . 3.7 mt-10 -54.02 -29.24 42.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.38 -34.19 1.21 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.134 0.492 . . . . 0.0 110.338 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.532 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -72.52 -43.76 63.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.241 179.232 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.892 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -60.1 -32.75 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.129 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -66.88 -32.13 73.19 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.592 178.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.51 -31.64 72.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.565 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.775 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -76.11 -29.49 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.354 -179.767 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.457 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -36.77 -44.56 0.49 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.961 0.41 . . . . 0.0 111.525 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.11 -30.78 8.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.305 179.209 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.732 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . 40.29 -113.86 0.17 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.85 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.2 tttt 178.26 -39.59 0.01 OUTLIER 'General case' 0 C--O 1.23 0.073 0 CA-C-O 121.071 0.463 . . . . 0.0 110.09 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.778 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -149.08 171.63 16.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.31 179.795 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -54.93 -54.79 20.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.269 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.06 -41.47 99.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.804 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -53.12 -33.33 44.8 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.537 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 38' ' ' THR . 2.1 t -78.47 -50.63 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.874 0.369 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.418 ' CE2' ' HB2' ' A' ' 12' ' ' ALA . 92.7 m95 -57.11 -33.91 67.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.451 HG22 ' O ' ' A' ' 41' ' ' GLY . 14.8 t -74.97 -35.03 62.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.804 ' HG ' ' O ' ' A' ' 41' ' ' GLY . 83.3 mt -60.44 -53.04 62.29 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.122 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.71 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.85 -51.4 68.38 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.951 0.405 . . . . 0.0 110.334 179.32 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -62.86 -29.41 70.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.656 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 44' ' ' THR . 6.5 mt-10 -60.1 -37.49 80.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.301 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.3 mt -73.95 -34.71 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.615 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -63.41 -31.63 72.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.244 -179.754 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 31.6 p . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.909 0.385 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.5 p -144.88 -46.73 0.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -66.13 -28.79 69.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.63 174.78 5.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.943 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -178.96 113.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.113 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.517 HG23 HG13 ' A' ' 39' ' ' VAL . 3.9 mt -79.82 123.43 36.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.716 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -108.83 -28.0 9.43 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.617 0.246 . . . . 0.0 111.574 -179.543 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.622 ' H ' HD22 ' A' ' 7' ' ' LEU . 2.9 t-20 176.51 123.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.857 0.361 . . . . 0.0 111.575 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.455 HD21 HG21 ' A' ' 6' ' ' ILE . 4.2 mm? -87.97 -42.72 12.26 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.505 0.669 . . . . 0.0 109.226 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -45.22 -36.75 4.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.33 179.164 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -72.83 -40.95 65.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.221 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.687 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -67.72 -46.2 72.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.738 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.68 ' O ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -68.85 -51.51 39.63 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.151 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -49.46 -37.06 24.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.943 0.401 . . . . 0.0 110.594 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -70.7 -33.11 70.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.273 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -56.41 -43.48 79.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.879 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.993 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.2 mp -71.7 -51.21 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.432 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -48.74 71.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.617 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -57.27 -44.09 83.63 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.865 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -64.49 -31.67 72.98 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 177.572 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.993 HG23 ' O ' ' A' ' 17' ' ' ILE . 29.9 t -73.5 -35.2 44.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.693 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -86.0 -26.47 25.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.832 0.348 . . . . 0.0 111.217 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.56 -60.33 1.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.264 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.8 68.12 1.3 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.327 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.537 ' CG2' HG21 ' A' ' 49' ' ' ILE . 12.9 t -121.83 -170.94 2.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.122 0.487 . . . . 0.0 111.378 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.34 99.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.168 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.939 ' O ' HG22 ' A' ' 30' ' ' ILE . 1.0 OUTLIER -56.32 -28.93 60.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.988 -179.713 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.02 -34.68 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.129 0.49 . . . . 0.0 110.337 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.562 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -72.33 -41.03 66.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.382 179.193 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.939 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -60.11 -32.11 49.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.336 0.588 . . . . 0.0 109.43 178.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -68.65 -31.6 70.85 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.537 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.68 -31.99 72.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.612 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.782 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -74.77 -29.79 23.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.042 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.427 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -51.3 -27.66 10.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.065 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.49 -13.72 25.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.276 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.749 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -46.83 132.85 11.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.421 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -104.61 -31.23 9.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.684 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.658 ' O ' HG23 ' A' ' 42' ' ' VAL . 3.0 p -96.35 138.51 33.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.707 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.517 HG13 HG23 ' A' ' 6' ' ' ILE . 16.2 m -55.83 -40.43 61.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.296 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.35 -42.52 79.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.496 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.25 -30.03 63.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.458 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.749 HG22 ' HB1' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -80.39 -50.68 17.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.765 0.317 . . . . 0.0 110.486 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.687 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -58.07 -31.99 67.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.135 0.493 . . . . 0.0 110.486 179.377 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.3 m -73.48 -42.01 62.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.287 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.782 ' CB ' HG22 ' A' ' 33' ' ' ILE . 9.6 mt -57.74 -50.89 71.73 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.311 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.704 ' HA ' HD12 ' A' ' 49' ' ' ILE . 2.1 pttp -61.57 -51.85 66.87 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.015 0.436 . . . . 0.0 110.726 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -64.15 -32.42 73.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.711 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -57.9 -34.7 70.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.39 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.2 mt -77.26 -33.93 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.387 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -57.3 -32.67 66.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.641 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.28 -21.92 18.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.907 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 67.16 22.54 9.77 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.0 p 51.86 -169.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.135 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.533 ' O ' HG23 ' A' ' 54' ' ' VAL . 15.4 m -154.6 96.87 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.3 m 61.7 82.55 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.777 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.152 -0.928 . . . . 0.0 110.956 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.866 0.365 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.4 t -69.91 -30.14 67.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -100.78 164.9 11.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 ptpp? -125.72 -170.13 2.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.89 -177.4 4.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.143 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mt -69.97 110.38 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.115 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.59 ' HB2' HG21 ' A' ' 39' ' ' VAL . 3.0 mm? -73.93 -79.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.961 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -166.69 99.9 0.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.861 0.362 . . . . 0.0 110.832 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 9' ' ' LEU . 3.7 mm? -87.95 -45.58 10.11 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.447 0.641 . . . . 0.0 109.302 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.25 -36.4 2.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.509 179.002 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -78.32 -39.9 38.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.141 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.832 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -65.61 -48.18 73.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.728 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.69 ' O ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -68.27 -43.66 77.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.655 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -51.17 -39.63 56.8 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.489 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -33.2 65.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.445 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.56 -47.39 70.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.182 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 1.0 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.1 mp -74.16 -51.42 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.728 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.26 -49.02 67.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.81 -43.85 90.67 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.978 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -64.49 -31.04 72.09 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.687 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.0 HG23 ' O ' ' A' ' 17' ' ' ILE . 25.2 t -74.16 -35.51 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.982 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.94 -18.08 60.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.3 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.66 -71.35 0.62 Allowed 'General case' 0 C--O 1.238 0.46 0 CA-C-O 120.992 0.425 . . . . 0.0 111.334 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.577 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 136.92 -87.77 0.22 Allowed Glycine 0 N--CA 1.452 -0.267 0 N-CA-C 111.611 -0.596 . . . . 0.0 111.611 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.513 ' CG2' HG21 ' A' ' 49' ' ' ILE . 0.6 OUTLIER 46.93 179.18 0.01 OUTLIER 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 179.242 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.69 107.67 1.01 Allowed 'General case' 0 C--O 1.222 -0.368 0 CA-C-O 121.21 0.529 . . . . 0.0 110.682 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.978 ' HA ' HD21 ' A' ' 20' ' ' LEU . 3.5 mt-10 -64.8 -29.36 70.32 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.868 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -42.32 -34.8 0.85 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.074 0.464 . . . . 0.0 110.476 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.493 ' CG ' HG12 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -67.75 -43.69 79.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.498 179.422 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.9 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -56.22 -31.92 33.42 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.086 0 CA-C-O 121.327 0.584 . . . . 0.0 109.476 178.909 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -31.39 71.47 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.298 178.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -31.81 69.09 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.811 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.779 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -73.8 -29.7 26.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.365 -179.568 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.414 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -50.84 -27.15 6.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 111.243 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -109.46 -2.8 17.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.262 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.623 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -35.8 -37.21 0.09 Allowed 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 36' ' ' ALA . 1.1 mmmm 66.19 -66.37 0.17 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.836 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.554 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.3 p -72.6 133.95 44.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.6 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.59 HG21 ' HB2' ' A' ' 7' ' ' LEU . 21.2 t -54.9 -52.47 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.564 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 44' ' ' THR . 1.7 tp10 -59.15 -39.41 82.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.193 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.539 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -61.76 -27.53 68.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.828 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.623 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.4 OUTLIER -79.34 -50.6 17.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.86 0.362 . . . . 0.0 110.764 -179.805 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.832 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -54.5 -32.79 58.66 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.4 179.543 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 40' ' ' GLU . 82.1 p -73.54 -51.37 17.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.166 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.779 ' CB ' HG22 ' A' ' 33' ' ' ILE . 19.3 mt -47.62 -51.36 21.59 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.692 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.727 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -63.65 -46.47 85.48 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.174 0.512 . . . . 0.0 110.516 179.592 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -67.85 -24.58 65.28 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.344 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' THR . 2.1 tt0 -71.68 -31.13 66.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.988 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.1 mt -78.63 -37.46 20.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.872 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -26.4 60.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.99 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.7 p -99.32 -38.1 8.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.898 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.6 t80 58.85 23.96 11.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.217 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.474 ' O ' HG23 ' A' ' 53' ' ' THR . 5.1 t -74.73 104.15 5.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.5 p -175.8 137.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.8 t -59.9 171.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.815 -179.933 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.81 0.338 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -95.4 142.86 27.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.71 88.46 2.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.842 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm 52.75 25.5 3.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.343 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.89 172.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.149 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.566 ' O ' HD12 ' A' ' 7' ' ' LEU . 4.0 mt -76.56 117.04 20.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.566 HD12 ' O ' ' A' ' 6' ' ' ILE . 2.8 mp -158.29 -41.85 0.06 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.326 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -131.86 110.9 11.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.454 HD12 HG21 ' A' ' 42' ' ' VAL . 4.6 mm? -87.57 -40.31 14.36 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.16 -36.64 3.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.265 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -65.92 -47.4 74.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.116 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -67.23 -45.33 77.09 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.62 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -60.99 -51.48 69.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.554 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -62.33 -33.3 74.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.453 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -76.52 -33.3 58.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.032 0.444 . . . . 0.0 110.347 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.776 ' HB1' HD11 ' A' ' 30' ' ' ILE . . . -58.75 -43.41 90.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.859 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.958 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.2 mm -72.23 -49.62 41.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.235 0.54 . . . . 0.0 110.352 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -54.12 -48.71 70.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.608 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -44.0 82.53 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.898 HD13 HG12 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -64.7 -33.16 75.3 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.7 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 17' ' ' ILE . 34.6 t -71.43 -35.22 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.705 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.73 -17.9 62.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.74 -77.22 0.51 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.429 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.539 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 144.97 -83.0 0.2 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.175 -179.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.462 ' CG2' HG21 ' A' ' 49' ' ' ILE . 0.6 OUTLIER 46.92 179.26 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.007 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.527 ' HB1' ' CD ' ' A' ' 28' ' ' LYS . . . -66.97 97.36 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.002 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.872 ' HA ' HD21 ' A' ' 20' ' ' LEU . 1.7 pt-20 -54.54 -28.72 47.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.329 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.527 ' CD ' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -42.34 -45.24 4.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.949 0.404 . . . . 0.0 110.751 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.441 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -63.09 -41.34 99.38 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.218 0.532 . . . . 0.0 109.721 178.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.898 HG12 HD13 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -54.5 -43.18 62.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.574 178.693 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.49 -31.35 67.77 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.715 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -33.61 75.92 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.351 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.724 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -73.99 -29.95 26.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.414 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -50.68 -26.26 5.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.529 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -99.88 -3.16 33.09 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 111.491 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.819 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -54.04 134.26 43.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.859 0.362 . . . . 0.0 111.306 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.5 ' HG2' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -102.14 -28.49 12.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.065 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 42' ' ' VAL . 36.4 p -110.45 143.56 40.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.751 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 40' ' ' GLU . 21.4 m -53.16 -45.69 54.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.334 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.478 ' N ' HG23 ' A' ' 39' ' ' VAL . 1.1 tt0 -55.89 -52.78 62.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.334 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.81 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -55.18 -28.15 48.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.733 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.819 HG22 ' HB1' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -84.33 -45.98 17.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.894 0.378 . . . . 0.0 110.692 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.439 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 79.8 m95 -63.42 -30.56 71.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.772 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.0 t -78.72 -40.74 32.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.285 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.81 ' HG ' ' O ' ' A' ' 41' ' ' GLY . 61.9 mt -58.59 -51.86 68.13 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.068 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.732 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -64.54 -44.57 90.4 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.948 0.404 . . . . 0.0 110.661 179.691 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -69.16 -24.74 64.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.139 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -71.99 -32.96 67.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.732 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.4 mt -77.97 -38.62 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.987 0.423 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -75.89 -29.23 58.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.615 ' CG2' HG23 ' A' ' 53' ' ' THR . 7.1 m -96.02 -26.45 15.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 64.15 23.36 13.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.158 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.615 HG23 ' CG2' ' A' ' 51' ' ' THR . 73.2 p -60.09 147.28 40.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.2 p -107.42 -31.21 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 t -133.26 166.33 22.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.959 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 2' ' ' THR . 9.7 t . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.775 0.321 . . . . 0.0 111.385 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.425 ' N ' HG23 ' A' ' 1' ' ' THR . 0.2 OUTLIER -114.44 97.25 6.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.96 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.09 -47.55 2.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.602 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -141.7 -173.84 3.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.653 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.62 117.37 0.2 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.364 -179.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.2 mt -131.15 98.29 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.743 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.772 HD13 ' O ' ' A' ' 7' ' ' LEU . 3.0 tm? -116.67 -35.25 4.26 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.185 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -155.72 121.19 4.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.021 0.438 . . . . 0.0 111.472 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -87.74 -39.1 15.22 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -44.4 -36.86 3.06 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.05 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -61.07 -47.52 85.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.711 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.805 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -68.15 -45.06 74.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.258 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HA ' ' CD1' ' A' ' 33' ' ' ILE . 9.6 mttt -56.86 -48.93 76.95 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.703 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.53 -34.15 68.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.576 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -71.75 -43.0 66.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.638 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.39 -49.24 67.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.972 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.2 tp -63.5 -49.08 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' N ' HG23 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -55.03 -48.89 72.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.792 179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.414 ' HB3' ' CE ' ' A' ' 50' ' ' LYS . 9.8 mm-40 -57.59 -43.85 84.94 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.895 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -63.94 -33.57 76.01 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.543 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.972 HG23 ' O ' ' A' ' 17' ' ' ILE . 38.9 t -70.5 -35.31 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.487 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -72.71 -23.22 60.83 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.87 -76.08 0.58 Allowed 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.33 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.492 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 141.36 -73.9 0.37 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.149 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.552 ' OG1' HG22 ' A' ' 49' ' ' ILE . 4.9 t 42.0 -165.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.67 103.12 8.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.632 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.908 ' O ' HG22 ' A' ' 30' ' ' ILE . 2.3 mt-10 -56.59 -31.03 63.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.229 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.31 -35.28 1.44 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.211 0.529 . . . . 0.0 110.784 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.49 ' CG ' HG12 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -69.66 -42.77 73.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.328 179.534 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.908 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -56.29 -31.83 33.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.88 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -68.83 -31.64 70.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.28 178.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.83 -32.01 72.26 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.716 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.775 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -75.93 -29.86 20.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 -179.724 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.424 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -53.33 -25.19 14.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.139 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.63 -3.09 33.92 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.407 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.709 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -52.92 134.85 37.31 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.914 0.387 . . . . 0.0 111.114 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.52 -30.6 11.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.592 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.565 ' O ' HG23 ' A' ' 42' ' ' VAL . 31.8 p -99.98 140.34 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.455 HG13 ' HZ3' ' A' ' 43' ' ' TRP . 49.0 t -56.07 -48.36 79.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.96 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.82 ' O ' HG23 ' A' ' 44' ' ' THR . 0.3 OUTLIER -62.86 -41.03 99.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.824 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.718 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -56.53 -30.95 59.64 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.595 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.709 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -77.92 -51.55 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.818 0.342 . . . . 0.0 110.832 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.805 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -57.39 -37.6 72.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.747 179.703 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.82 HG23 ' O ' ' A' ' 40' ' ' GLU . 50.7 p -67.88 -42.88 80.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.204 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.775 ' CB ' HG22 ' A' ' 33' ' ' ILE . 75.9 mt -55.37 -49.61 71.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.622 0.248 . . . . 0.0 111.152 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.733 ' HA ' HD12 ' A' ' 49' ' ' ILE . 6.2 pttp -66.68 -50.4 62.99 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.246 0.546 . . . . 0.0 110.68 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.92 -24.64 67.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.011 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' THR . 47.6 tt0 -70.63 -38.82 73.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.733 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.3 mt -69.04 -38.57 78.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.328 . . . . 0.0 110.739 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' CE ' ' HB3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -74.03 -26.48 60.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.086 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.7 p -84.96 -28.96 25.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.968 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -176.35 179.4 1.22 Allowed 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.5 p -132.16 63.25 1.62 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.89 0.376 . . . . 0.0 110.806 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.0 m -61.47 126.71 19.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.8 p -142.14 119.88 11.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.906 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 3' ' ' TYR . 1.3 p . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.873 0.368 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 63.8 p 52.76 -85.77 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.328 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 1' ' ' THR . 0.9 OUTLIER -162.09 -50.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.982 0.42 . . . . 0.0 111.024 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.23 -179.46 5.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.815 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -176.52 93.94 0.05 OUTLIER 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.861 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.542 HG21 ' HB2' ' A' ' 10' ' ' LYS . 4.4 mt -93.59 114.9 31.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.5 mp -91.6 -59.3 2.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -159.73 29.48 0.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 9' ' ' LEU . 2.9 mm? -87.92 -44.45 11.03 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.447 0.642 . . . . 0.0 109.443 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.542 ' HB2' HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -44.56 -36.85 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.38 179.04 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -73.4 -41.63 63.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.205 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.808 ' HB1' ' HB ' ' A' ' 42' ' ' VAL . . . -68.9 -45.51 70.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.664 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.692 ' O ' HD12 ' A' ' 17' ' ' ILE . 19.2 mttm -67.18 -51.58 51.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.668 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -49.1 -41.66 36.41 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.62 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -70.35 -33.21 71.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.48 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.65 ' HB2' HD13 ' A' ' 33' ' ' ILE . . . -53.99 -45.25 71.39 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.975 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.975 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.2 mp -73.11 -51.26 27.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.993 0.425 . . . . 0.0 110.61 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -53.33 -48.72 68.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.771 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.71 -43.44 85.22 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.712 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -65.34 -31.12 72.08 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 177.705 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.975 HG23 ' O ' ' A' ' 17' ' ' ILE . 26.1 t -73.96 -35.32 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.873 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -86.42 -18.78 30.89 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.62 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.78 -59.01 2.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.59 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.71 118.46 2.84 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.347 -0.93 . . . . 0.0 111.66 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.684 ' CG2' HG21 ' A' ' 49' ' ' ILE . 15.3 t -170.85 -166.88 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.319 0.58 . . . . 0.0 111.364 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.74 88.23 0.06 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.144 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.712 ' HA ' HD21 ' A' ' 20' ' ' LEU . 7.0 pt-20 -47.51 -29.19 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.929 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -46.89 -38.09 9.9 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.047 0.451 . . . . 0.0 110.477 179.672 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.61 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -60.0 -35.08 74.27 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.166 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.68 ' CG1' HD13 ' A' ' 20' ' ' LEU . 2.0 mm -68.86 -33.88 61.53 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.741 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 2.7 tptt -56.59 -31.14 63.97 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -38.78 58.93 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.757 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.851 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -58.46 -29.69 39.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-O 120.624 0.25 . . . . 0.0 111.294 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.489 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -41.66 -44.74 3.22 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.228 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.19 -30.72 11.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.089 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.51 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . 37.66 -93.02 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.059 179.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.2 pttt 163.67 -33.72 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.251 0.548 . . . . 0.0 109.684 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.716 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -168.3 -174.91 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.953 179.811 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.486 HG12 ' HE1' ' A' ' 43' ' ' TRP . 12.7 t -59.21 -50.41 79.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.011 0.434 . . . . 0.0 110.788 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -67.43 -35.98 80.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.893 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.698 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -56.44 -34.92 64.37 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.3 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.808 ' HB ' ' HB1' ' A' ' 12' ' ' ALA . 1.5 t -76.3 -47.99 29.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.995 0.426 . . . . 0.0 110.24 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.486 ' HE1' HG12 ' A' ' 39' ' ' VAL . 42.0 m95 -54.93 -28.76 53.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.458 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 48' ' ' GLU . 38.1 m -76.28 -54.5 6.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.433 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.851 ' CB ' HG22 ' A' ' 33' ' ' ILE . 4.5 mm? -47.3 -54.52 10.81 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.616 0.246 . . . . 0.0 111.439 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.734 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -60.5 -55.14 37.04 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.925 0.393 . . . . 0.0 110.521 179.654 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' HA ' ' CG ' ' A' ' 50' ' ' LYS . 6.9 t70 -58.2 -24.67 59.94 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.224 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -70.97 -30.5 66.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.481 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 46' ' ' LYS . 2.5 mt -76.65 -38.03 30.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.9 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -80.74 -40.73 24.74 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.644 -0.423 . . . . 0.0 111.104 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.753 HG22 ' OG1' ' A' ' 53' ' ' THR . 3.1 m -81.08 -33.97 33.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.4 t80 56.13 23.48 6.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.209 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.753 ' OG1' HG22 ' A' ' 51' ' ' THR . 29.6 p -144.77 177.92 8.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.788 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 54' ' ' VAL . 10.0 t -121.76 16.3 5.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.439 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.9 p 50.88 29.54 4.48 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.825 0.345 . . . . 0.0 111.204 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.826 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.731 0.301 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.7 p -97.67 31.37 2.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.867 0.365 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.73 -39.54 3.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.6 -168.3 1.46 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.112 0.482 . . . . 0.0 110.749 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.74 59.2 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.021 0.439 . . . . 0.0 110.838 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.62 HG22 ' HB3' ' A' ' 10' ' ' LYS . 2.6 mt -124.23 75.71 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.304 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 47.44 -92.62 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.786 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -174.26 -50.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.803 0.335 . . . . 0.0 111.222 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.541 ' HG ' HG12 ' A' ' 39' ' ' VAL . 1.2 mp -87.63 -43.98 11.56 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.62 ' HB3' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -43.94 -36.56 2.48 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.953 178.736 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.443 ' HB2' ' HB ' ' A' ' 6' ' ' ILE . 18.5 tt0 -71.73 -48.1 49.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.829 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.434 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . . . -58.88 -49.54 77.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.668 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.707 ' O ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -65.09 -51.86 58.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.749 179.676 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.416 ' HG2' ' HD2' ' A' ' 13' ' ' LYS . 1.5 mm-40 -51.86 -41.98 62.28 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.796 0.331 . . . . 0.0 110.591 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' HA ' ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -61.1 -33.9 74.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.226 179.553 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -61.29 -44.32 97.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.102 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.946 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.2 mp -74.63 -51.12 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.294 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.45 ' HG2' ' HA ' ' A' ' 15' ' ' GLU . 6.0 pttt -55.94 -48.74 75.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.764 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.434 ' N ' ' CG ' ' A' ' 18' ' ' LYS . 5.5 mm-40 -57.74 -43.97 85.72 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.857 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -63.12 -36.85 84.96 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 177.521 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.946 HG23 ' O ' ' A' ' 17' ' ' ILE . 48.3 t -64.25 -35.31 73.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.907 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.71 -19.68 61.36 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.092 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.0 -81.37 0.53 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.703 0.287 . . . . 0.0 111.473 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.494 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 148.23 -75.96 0.26 Allowed Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.263 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.467 ' OG1' HG22 ' A' ' 49' ' ' ILE . 2.7 t 42.49 -167.48 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.104 0.478 . . . . 0.0 112.256 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HB1' ' CE ' ' A' ' 28' ' ' LYS . . . -78.03 94.28 4.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.734 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.857 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -52.92 -29.21 27.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.256 -179.625 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.462 ' CE ' ' HB1' ' A' ' 26' ' ' ALA . 1.4 pttp -45.29 -38.13 5.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.126 0.489 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.649 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -60.49 -41.34 94.05 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.057 179.29 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.777 HG12 HD13 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -62.05 -41.61 91.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.897 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -31.04 16.46 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.021 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.463 ' HB3' HD13 ' A' ' 45' ' ' LEU . 1.4 tp -75.67 -31.79 59.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.953 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.704 ' HA ' HD12 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -62.83 -29.87 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 120.798 0.333 . . . . 0.0 110.825 -179.799 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.442 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.63 -32.05 58.3 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.992 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.98 -2.91 33.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.067 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.649 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -35.71 -36.87 0.08 Allowed 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.469 ' O ' HD21 ' A' ' 9' ' ' LEU . 9.2 tmtt? 69.28 -66.35 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.47 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -84.77 142.99 29.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.693 -179.835 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.541 HG12 ' HG ' ' A' ' 9' ' ' LEU . 19.4 m -56.13 -46.31 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.18 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.484 ' N ' HG23 ' A' ' 39' ' ' VAL . 2.3 tm-20 -60.96 -44.5 97.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.403 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -57.09 -27.75 57.69 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.656 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.649 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -77.76 -50.16 20.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.873 0.368 . . . . 0.0 110.604 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.434 ' CZ2' ' HA ' ' A' ' 12' ' ' ALA . 93.4 m95 -57.8 -29.78 65.17 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.671 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.8 m -74.77 -49.35 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.163 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 33' ' ' ILE . 37.4 mt -52.77 -53.97 40.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.518 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.661 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.04 -55.6 30.81 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 110.951 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.2 -33.04 71.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.044 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -56.97 -43.51 81.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.428 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.661 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.0 OUTLIER -66.79 -35.19 74.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.281 179.443 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 17.2 mmtt -65.19 -32.26 73.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.483 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.3 m -76.19 -19.83 58.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.939 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -90.78 24.48 2.71 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.321 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.6 p 60.07 158.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 55' ' ' THR . 12.7 m -135.65 -46.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.031 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.526 ' O ' HG22 ' A' ' 55' ' ' THR . 23.3 m -140.8 31.46 1.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.868 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 120.716 0.293 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.1 p -121.81 157.98 29.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.999 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -101.36 139.22 37.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.621 ' HB3' HD11 ' A' ' 7' ' ' LEU . 1.8 mtmm -65.9 -167.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tp -165.95 -69.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.034 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.539 ' C ' HD12 ' A' ' 7' ' ' LEU . 2.8 mt -120.24 117.63 54.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.115 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.621 HD11 ' HB3' ' A' ' 4' ' ' LYS . 6.6 mp -136.64 -72.26 0.44 Allowed 'General case' 0 C--O 1.239 0.523 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.785 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -177.62 115.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.708 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.911 HD11 ' O ' ' A' ' 37' ' ' LYS . 4.3 mm? -87.8 -42.92 12.24 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.7 -36.66 5.13 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.447 179.19 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -63.69 -42.64 97.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.272 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.42 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -78.06 -42.63 31.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.808 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -60.51 -48.73 80.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.8 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.69 -37.13 86.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.712 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.493 ' HA ' ' HG2' ' A' ' 18' ' ' LYS . 1.3 tt0 -73.73 -33.22 64.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.95 76.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.506 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.911 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.8 tp -67.15 -51.38 54.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.7 0.286 . . . . 0.0 111.421 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.493 ' HG2' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -61.1 -40.42 93.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.849 179.583 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -57.85 -45.37 86.35 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 178.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.839 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -61.81 -36.12 80.2 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 177.041 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 17' ' ' ILE . 39.9 t -69.59 -35.0 64.12 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.05 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -75.06 -28.09 60.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.151 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.75 -71.6 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.298 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.19 75.06 0.91 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.248 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.578 ' CG2' HG21 ' A' ' 49' ' ' ILE . 13.9 t -126.0 -171.04 2.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.036 0.446 . . . . 0.0 111.267 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.526 ' HB1' ' HD3' ' A' ' 28' ' ' LYS . . . -56.59 95.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.021 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.866 ' O ' HG22 ' A' ' 30' ' ' ILE . 6.9 pm0 -54.06 -29.54 44.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.209 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.526 ' HD3' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -43.53 -32.96 1.01 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.132 0.492 . . . . 0.0 110.35 179.47 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.57 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -73.02 -42.97 62.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.298 179.113 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.866 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -56.53 -31.92 35.32 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.072 0 CA-C-O 121.334 0.588 . . . . 0.0 109.467 178.772 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -31.6 68.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.335 178.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.28 -31.94 70.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.474 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.794 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -74.52 -29.82 24.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.288 -179.751 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.408 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -53.3 -26.06 17.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.813 0.339 . . . . 0.0 111.082 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.24 -2.75 17.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.798 ' HB3' HG22 ' A' ' 42' ' ' VAL . . . -40.64 -30.82 0.13 Allowed 'General case' 0 C--O 1.231 0.12 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.911 ' O ' HD11 ' A' ' 9' ' ' LEU . 1.1 mtmt 65.47 -73.83 0.06 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.777 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.641 ' O ' HG23 ' A' ' 42' ' ' VAL . 69.7 p -66.71 125.27 25.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.541 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 40' ' ' GLU . 10.9 m -48.16 -45.71 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.407 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.423 ' N ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -60.31 -53.1 61.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.351 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.517 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -53.64 -25.43 28.58 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.937 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.798 HG22 ' HB3' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -76.98 -52.12 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 0.0 110.831 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 85.9 m95 -55.9 -28.47 56.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.798 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' GLU . 3.5 m -76.1 -47.46 24.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.794 ' CB ' HG22 ' A' ' 33' ' ' ILE . 30.9 mt -52.7 -48.53 66.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.425 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.762 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -65.87 -55.64 15.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.066 0.46 . . . . 0.0 110.664 179.631 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.35 -24.72 65.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.065 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 44' ' ' THR . 23.1 tt0 -69.68 -39.41 77.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.99 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.762 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.7 mt -67.17 -38.67 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.602 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -31.01 72.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.827 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.4 m -75.28 -48.05 25.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' A' ' 53' ' ' THR . 0.1 OUTLIER -164.72 -155.34 0.26 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.054 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.467 ' N ' ' CG ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -151.72 -75.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.838 0.352 . . . . 0.0 110.977 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 m -101.83 146.89 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.195 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 m -104.18 31.21 4.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.883 -179.944 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 121.172 0.511 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.2 p -111.53 135.97 51.37 Favored 'General case' 0 N--CA 1.458 -0.07 0 CA-C-O 121.018 0.437 . . . . 0.0 110.685 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.34 -52.44 3.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.982 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -105.82 -167.57 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.612 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tp -174.01 112.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.203 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.835 ' C ' HD13 ' A' ' 7' ' ' LEU . 3.3 mt -105.26 115.85 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.83 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.835 HD13 ' C ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -122.6 -58.14 1.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.867 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 179.82 -33.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.387 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.2 mm? -87.55 -42.18 12.93 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.49 0.662 . . . . 0.0 109.329 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -46.37 -36.98 6.94 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.316 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -67.59 -39.6 84.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.307 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.881 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -76.97 -43.83 33.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.753 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.32 -49.42 76.16 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.493 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.49 -34.33 77.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.018 0.437 . . . . 0.0 110.411 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' HA ' ' HG2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -73.8 -33.17 64.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.713 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.57 -36.58 76.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.353 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.942 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.6 tp -72.66 -50.58 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.613 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.438 ' N ' HG23 ' A' ' 17' ' ' ILE . 2.4 ptpt -58.52 -38.27 77.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.705 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 5.0 mm-40 -63.6 -42.36 98.25 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 178.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.76 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -66.21 -36.29 82.66 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.239 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 17' ' ' ILE . 44.4 t -65.4 -35.1 74.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 114.975 -1.012 . . . . 0.0 110.115 178.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.64 -18.1 60.59 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.342 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.16 -86.4 0.38 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.643 0.259 . . . . 0.0 111.579 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.488 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 156.82 -70.66 0.26 Allowed Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.232 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.708 ' OG1' HG22 ' A' ' 49' ' ' ILE . 3.4 t 42.41 -166.08 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.914 0.388 . . . . 0.0 111.903 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.79 96.01 6.84 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.051 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.76 ' HA ' HD21 ' A' ' 20' ' ' LEU . 1.5 mt-10 -53.65 -29.49 38.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.054 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 1.2 mptt -45.93 -35.89 5.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.185 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.647 ' O ' HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -65.04 -37.68 88.38 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 109.979 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.716 ' CG1' HD13 ' A' ' 20' ' ' LEU . 3.3 mm -62.22 -31.78 52.63 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-O 121.315 0.579 . . . . 0.0 109.68 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 1.8 ttpt -65.09 -31.07 72.1 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 177.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.34 -33.09 49.35 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.921 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.819 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -70.71 -29.73 39.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.363 -179.571 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.451 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.86 -26.35 34.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.97 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.77 -3.27 39.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.754 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -51.76 133.7 31.19 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.805 0.336 . . . . 0.0 111.223 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -101.59 -36.56 8.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.431 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.86 134.66 41.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.388 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.459 HG23 ' N ' ' A' ' 40' ' ' GLU . 11.8 m -50.33 -48.72 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.266 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.459 ' N ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -58.67 -37.2 75.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.011 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.528 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -63.0 -28.81 72.67 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.708 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.754 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -80.56 -51.02 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.692 0.282 . . . . 0.0 110.947 -179.837 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.881 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.8 OUTLIER -58.64 -32.04 68.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.584 179.66 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.591 HG22 ' OE1' ' A' ' 48' ' ' GLU . 37.2 m -72.56 -45.63 58.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.945 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.819 ' CB ' HG22 ' A' ' 33' ' ' ILE . 12.7 mt -53.14 -49.63 66.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.486 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 6.4 pttp -65.45 -49.63 68.4 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.038 0.446 . . . . 0.0 110.537 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.51 -24.49 66.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.725 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.591 ' OE1' HG22 ' A' ' 44' ' ' THR . 4.9 mt-10 -73.62 -30.16 62.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.817 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.708 HG22 ' OG1' ' A' ' 25' ' ' THR . 0.2 OUTLIER -75.03 -38.39 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.347 . . . . 0.0 110.474 179.603 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.604 ' O ' HG22 ' A' ' 53' ' ' THR . 2.2 mptp? -68.64 -27.38 65.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.798 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -78.71 -28.48 45.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.08 23.24 12.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.207 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.604 HG22 ' O ' ' A' ' 50' ' ' LYS . 8.9 t -78.79 -47.23 17.12 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.554 HG23 HG23 ' A' ' 53' ' ' THR . 32.7 t -131.74 158.69 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.475 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.481 ' N ' HG12 ' A' ' 54' ' ' VAL . 1.8 m 62.72 34.65 14.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.065 0.459 . . . . 0.0 111.036 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.249 -0.882 . . . . 0.0 111.164 -179.919 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.493 1.718 0 CA-C-O 120.728 0.299 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.1 125.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.096 0.474 . . . . 0.0 111.127 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -95.09 137.48 34.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.032 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.93 171.25 8.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 179.71 88.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.981 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.721 HG22 HG23 ' A' ' 39' ' ' VAL . 2.0 mt -117.16 83.24 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.64 ' HB2' HG21 ' A' ' 39' ' ' VAL . 2.6 mp 55.95 -85.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.359 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 6' ' ' ILE . 5.8 t-20 -166.97 115.54 0.84 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.779 0.323 . . . . 0.0 111.08 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.8 mm? -88.08 -41.12 13.28 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.473 0.654 . . . . 0.0 109.462 178.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.27 -37.07 6.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.023 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -72.16 -38.42 69.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.281 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.793 ' HB1' ' HB ' ' A' ' 42' ' ' VAL . . . -73.06 -42.33 63.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.835 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.5 tttt -73.67 -48.82 29.38 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.702 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -56.67 -43.45 80.43 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.899 0.381 . . . . 0.0 110.466 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.73 -33.34 74.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.51 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.41 -37.95 76.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.84 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.98 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.3 mm -73.6 -51.42 25.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.437 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -53.63 -48.67 69.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.671 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -57.56 -42.72 83.57 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.919 HD13 HD11 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -66.37 -30.56 70.97 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 177.744 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.98 HG23 ' O ' ' A' ' 17' ' ' ILE . 23.2 t -74.72 -35.22 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.984 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -91.17 -17.82 25.47 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.604 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.88 -47.89 2.94 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.83 0.308 . . . . 0.0 111.83 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.42 98.3 0.19 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.111 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.513 ' OG1' HG22 ' A' ' 49' ' ' ILE . 5.1 t -146.64 -167.09 2.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.22 0.533 . . . . 0.0 111.326 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.502 ' HB3' ' CG2' ' A' ' 49' ' ' ILE . . . -60.01 88.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.888 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.719 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -53.0 -29.4 29.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.111 -179.773 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 4.3 mttt -44.69 -35.71 2.78 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.783 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -64.68 -38.52 91.29 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.602 -0.439 . . . . 0.0 109.931 179.601 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.919 HD11 HD13 ' A' ' 20' ' ' LEU . 2.8 mm -59.22 -32.06 47.43 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 8.1 tmtt? -64.74 -31.23 72.35 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 177.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.5 -35.34 34.81 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.485 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.811 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -73.86 -30.07 27.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.722 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.99 -25.45 21.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.948 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -102.15 -2.94 28.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.199 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.698 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -43.55 121.87 2.46 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.797 0.332 . . . . 0.0 111.646 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.84 26.22 5.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.583 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -162.38 133.53 5.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.491 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.721 HG23 HG22 ' A' ' 6' ' ' ILE . 8.9 t -54.22 -42.41 56.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.069 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.91 -42.05 81.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.634 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.58 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -57.21 -28.72 59.1 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.489 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.793 ' HB ' ' HB1' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -80.45 -45.25 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.695 0.283 . . . . 0.0 110.6 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.599 ' NE1' HG12 ' A' ' 39' ' ' VAL . 22.8 m95 -58.66 -34.04 70.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.549 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.497 HG22 ' HG3' ' A' ' 48' ' ' GLU . 9.5 m -74.28 -47.15 36.7 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.267 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.811 ' CB ' HG22 ' A' ' 33' ' ' ILE . 50.2 mt -50.64 -51.77 45.92 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.45 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.598 ' HA ' HD12 ' A' ' 49' ' ' ILE . 9.0 pttt -63.44 -48.34 78.14 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.117 0.484 . . . . 0.0 110.484 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 46' ' ' LYS . 1.2 t70 -64.11 -24.65 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.908 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.497 ' HG3' HG22 ' A' ' 44' ' ' THR . 1.7 mt-10 -71.16 -30.46 66.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.21 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.783 HD11 ' HB3' ' A' ' 29' ' ' TYR . 0.8 OUTLIER -78.84 -36.88 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.747 179.722 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -64.91 -29.81 70.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.941 0.401 . . . . 0.0 110.395 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.6 -25.78 19.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.626 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -108.09 25.09 12.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 49' ' ' ILE . 31.6 p -51.59 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.132 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.6 p -94.73 147.71 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.248 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 46.1 m -103.91 -27.39 12.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.988 179.953 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 40.5 p . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 120.873 0.368 . . . . 0.0 111.515 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 2' ' ' THR . 4.7 t -75.85 93.01 3.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.312 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -91.82 -38.41 12.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 53.02 -174.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.721 HD12 ' CD2' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -177.49 90.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.694 -179.381 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mt -96.38 85.5 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.453 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.721 ' CD2' HD12 ' A' ' 5' ' ' LEU . 1.4 mm? -65.15 -72.63 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.621 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -145.78 55.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.582 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.442 HD21 ' O ' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -88.02 -44.87 10.66 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.468 179.307 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.49 -37.08 3.26 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.355 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -76.02 -38.82 56.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.456 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.468 ' HB1' ' HB ' ' A' ' 42' ' ' VAL . . . -72.43 -43.35 63.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.189 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -61.42 -49.28 77.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.821 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.86 -34.59 77.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.684 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -78.9 -35.79 42.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.77 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.6 -49.27 75.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.951 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.3 tp -69.9 -48.06 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.728 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.457 ' N ' HG23 ' A' ' 17' ' ' ILE . 47.6 tttp -54.43 -48.82 71.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.69 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -56.72 -44.41 81.59 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.784 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -63.82 -36.76 84.96 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.558 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.951 HG23 ' O ' ' A' ' 17' ' ' ILE . 41.1 t -65.27 -35.34 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.377 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.8 -20.26 63.46 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.95 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -132.41 -80.48 0.5 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.336 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.456 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 148.96 -75.5 0.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.382 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 24' ' ' GLY . 5.0 t 42.48 -165.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.871 0.367 . . . . 0.0 111.947 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.561 ' HB1' ' HD3' ' A' ' 28' ' ' LYS . . . -80.31 103.05 9.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.815 ' O ' HG22 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -57.7 -29.46 64.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.061 -179.848 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.561 ' HD3' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -43.82 -32.07 0.98 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.108 0.48 . . . . 0.0 110.29 179.533 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.583 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -73.19 -46.87 48.1 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.188 179.098 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.841 HD13 ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -59.45 -35.39 58.51 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-O 121.26 0.553 . . . . 0.0 109.535 179.028 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -31.41 72.57 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.714 178.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -32.41 72.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.579 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.769 HG22 ' HB2' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -72.34 -29.86 33.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.445 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -52.63 -27.47 17.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.116 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -98.75 -3.24 36.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.327 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.74 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -52.18 134.85 32.83 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.905 0.383 . . . . 0.0 111.275 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -102.96 -30.96 10.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.541 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.62 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -102.81 141.95 34.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.501 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 40' ' ' GLU . 15.4 m -54.6 -48.14 71.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.301 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.464 ' N ' HG23 ' A' ' 39' ' ' VAL . 2.4 tt0 -59.26 -47.65 84.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.999 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.458 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -53.84 -30.36 44.4 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.582 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.74 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -78.81 -54.89 11.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.954 0.407 . . . . 0.0 110.657 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.418 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 94.3 m95 -60.05 -27.35 66.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.7 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 48' ' ' GLU . 86.1 m -72.98 -47.14 47.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.769 ' HB2' HG22 ' A' ' 33' ' ' ILE . 87.3 mt -57.5 -52.3 65.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.318 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.687 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -60.45 -53.38 58.31 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.016 0.436 . . . . 0.0 110.655 179.7 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -63.11 -27.97 69.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.87 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' THR . 7.4 mt-10 -61.91 -35.32 78.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.564 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -77.23 -34.93 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.588 179.714 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -59.85 -44.95 93.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.824 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 53' ' ' THR . 64.0 p -73.96 -31.0 62.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.1 t80 59.91 24.35 13.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.08 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 51' ' ' THR . 59.5 p -129.65 102.3 6.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 54' ' ' VAL . 10.9 p -147.8 61.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.045 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 m -125.43 -45.41 1.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.897 179.968 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.731 0.3 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.5 p -58.67 -178.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.04 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -97.93 -7.61 29.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.343 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.616 ' HB3' HD12 ' A' ' 6' ' ' ILE . 23.9 ttmt -114.94 14.78 17.3 Favored 'General case' 0 C--O 1.228 -0.072 0 CA-C-O 120.591 0.234 . . . . 0.0 111.186 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 73.06 15.68 4.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.07 178.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.616 HD12 ' HB3' ' A' ' 4' ' ' LYS . 5.0 mt -94.5 96.7 6.16 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 CA-C-O 120.978 0.418 . . . . 0.0 111.227 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mp -114.25 -38.72 4.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.613 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -160.24 29.38 0.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.567 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.486 ' CD1' HG21 ' A' ' 42' ' ' VAL . 3.8 mm? -87.94 -46.53 9.3 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.443 0.639 . . . . 0.0 109.581 179.321 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.4 -37.1 2.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.816 -1.083 . . . . 0.0 110.528 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -71.42 -43.12 67.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.579 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.432 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -71.41 -43.54 66.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.937 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.439 ' O ' HG22 ' A' ' 17' ' ' ILE . 14.8 mttp -56.38 -42.13 77.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.004 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -68.58 -34.46 75.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.65 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.54 -35.54 53.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.808 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.614 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -60.73 -49.43 77.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.967 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.4 tp -65.29 -49.47 78.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.739 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.446 ' N ' HG23 ' A' ' 17' ' ' ILE . 2.0 tppt? -54.13 -48.7 70.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.549 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.18 -44.57 83.66 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.94 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -64.02 -32.37 73.9 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.622 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.967 HG23 ' O ' ' A' ' 17' ' ' ILE . 26.4 t -72.56 -35.53 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.017 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -85.56 -23.78 27.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.267 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.87 -58.78 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.319 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.08 51.2 3.24 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.217 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.786 ' CG2' HG21 ' A' ' 49' ' ' ILE . 14.7 t -103.38 -170.72 1.83 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.309 0.575 . . . . 0.0 111.211 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.88 100.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.314 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.94 ' HA ' HD21 ' A' ' 20' ' ' LEU . 13.8 pt-20 -56.19 -29.45 60.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.107 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -43.7 -32.64 1.04 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.314 0.578 . . . . 0.0 110.329 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.698 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -70.21 -44.41 68.69 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.566 179.386 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.908 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -60.42 -33.86 55.72 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 CA-C-O 121.109 0.48 . . . . 0.0 109.801 179.299 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -31.52 72.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.618 178.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.66 -31.71 65.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.483 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.614 HD13 ' CB ' ' A' ' 16' ' ' ALA . 0.7 OUTLIER -69.93 -29.73 41.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.244 -179.717 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.479 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -57.23 -29.53 63.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.938 0.399 . . . . 0.0 110.84 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.69 -2.88 22.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.15 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.672 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -33.82 -37.32 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 69.54 -65.98 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.706 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -80.1 138.64 36.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 179.823 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.8 t -54.88 -54.84 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.461 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -39.7 76.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.018 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.813 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.89 -29.75 65.3 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.65 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.672 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -76.41 -52.36 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.391 . . . . 0.0 110.993 -179.69 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 88.7 m95 -57.57 -33.4 68.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.325 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.412 HG22 ' C ' ' A' ' 41' ' ' GLY . 14.0 t -75.06 -33.08 61.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.456 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.813 ' HG ' ' O ' ' A' ' 41' ' ' GLY . 82.3 mt -64.22 -52.33 59.36 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.016 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.631 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -60.52 -47.84 84.4 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.225 0.536 . . . . 0.0 109.854 179.032 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.452 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 5.4 m-20 -65.47 -29.56 70.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.377 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.45 -37.35 75.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.176 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.786 HG21 ' CG2' ' A' ' 25' ' ' THR . 1.2 mt -74.76 -35.75 37.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.629 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -60.1 -50.69 72.69 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.781 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.59 -24.4 36.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.045 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.1 t80 67.33 24.01 9.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.157 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.466 ' O ' HG12 ' A' ' 54' ' ' VAL . 3.4 t -63.16 127.22 30.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.588 ' O ' HG22 ' A' ' 54' ' ' VAL . 12.2 p 43.89 35.26 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.573 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.8 m -88.84 -44.15 10.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.816 -179.911 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.8 t . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 120.44 0.162 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.409 HG23 ' H ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -110.21 -82.6 0.57 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.622 -179.825 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.409 ' H ' HG23 ' A' ' 2' ' ' THR . 0.3 OUTLIER -127.95 17.7 6.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.06 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -135.12 179.44 6.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.878 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 tp -177.01 73.79 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.985 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.421 ' HA ' ' HB3' ' A' ' 10' ' ' LYS . 6.5 mt -66.85 103.53 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 7' ' ' LEU . 3.4 mm? -94.89 -82.11 0.38 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.44 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.643 ' OD1' HD12 ' A' ' 9' ' ' LEU . 29.8 p-10 -134.54 -37.05 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.98 -178.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.643 HD12 ' OD1' ' A' ' 8' ' ' ASN . 1.1 mp -87.8 -46.62 9.28 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.403 0.62 . . . . 0.0 109.596 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.421 ' HB3' ' HA ' ' A' ' 6' ' ' ILE . 2.3 mttt -44.81 -36.68 3.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.417 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -73.07 -40.74 64.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.242 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.611 ' HB1' ' HB ' ' A' ' 42' ' ' VAL . . . -71.59 -45.47 62.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.683 ' O ' HD12 ' A' ' 17' ' ' ILE . 5.0 mtpm? -69.18 -51.8 34.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.77 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -52.34 -42.26 63.74 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.054 0.454 . . . . 0.0 110.371 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.4 -33.07 70.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.355 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -52.57 -45.93 66.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.051 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.985 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.2 mp -74.86 -51.28 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-O 120.933 0.397 . . . . 0.0 110.726 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -49.04 68.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.685 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.401 ' HG3' ' HE2' ' A' ' 46' ' ' LYS . 5.5 mm-40 -58.29 -44.61 88.6 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.908 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -63.21 -31.1 72.17 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.49 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 17' ' ' ILE . 37.4 t -73.03 -35.32 48.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.839 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -90.36 -18.09 26.13 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.506 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.36 -48.69 3.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.688 0.28 . . . . 0.0 111.486 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.2 77.62 0.69 Allowed Glycine 0 C--O 1.226 -0.366 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.134 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.609 ' CG2' HG21 ' A' ' 49' ' ' ILE . 5.5 t -135.55 178.41 7.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.972 0.415 . . . . 0.0 111.051 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.586 ' HB1' ' HD3' ' A' ' 28' ' ' LYS . . . -46.88 95.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.551 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.908 ' HA ' HD21 ' A' ' 20' ' ' LEU . 2.1 mt-10 -54.18 -28.93 43.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.578 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.586 ' HD3' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -43.27 -35.32 1.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.164 0.506 . . . . 0.0 110.543 179.345 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.516 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -71.11 -43.01 68.5 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.334 179.029 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.897 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -60.69 -33.06 53.46 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.037 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.59 -31.48 72.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.773 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tp -69.32 -31.73 70.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.807 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.761 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -74.59 -29.86 24.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.06 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.425 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -51.62 -30.37 21.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.906 0.384 . . . . 0.0 111.244 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.58 -3.11 50.29 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.765 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -54.38 134.44 45.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.818 0.342 . . . . 0.0 111.262 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.32 -30.28 9.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.989 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.61 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -101.96 140.54 36.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.509 179.296 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.412 HG11 ' HB2' ' A' ' 8' ' ' ASN . 14.9 m -54.63 -43.27 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.261 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -47.93 82.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.031 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.431 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -55.18 -30.34 54.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.464 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.765 HG22 ' HB1' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -81.02 -50.34 17.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.892 0.377 . . . . 0.0 110.405 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.43 ' CZ2' ' HA ' ' A' ' 12' ' ' ALA . 83.0 m95 -61.06 -27.83 68.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.498 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.6 m -74.77 -47.15 32.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.231 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.761 ' CB ' HG22 ' A' ' 33' ' ' ILE . 48.9 mt -56.6 -52.28 65.45 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.232 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.745 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.44 -52.32 65.06 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.186 0.517 . . . . 0.0 110.528 179.526 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -63.6 -24.74 67.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.389 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.22 -29.07 64.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.199 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.2 mt -81.07 -34.76 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.194 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -28.99 61.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.918 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.544 ' O ' HG22 ' A' ' 53' ' ' THR . 41.0 p -101.6 -29.34 12.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.2 t80 61.34 23.46 13.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 51' ' ' THR . 3.0 t -172.35 165.81 5.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.816 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 54' ' ' VAL . 15.8 t -129.98 37.4 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.5 t -141.4 31.82 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.944 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 47.7 p . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.842 0.353 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.1 p 56.76 30.05 17.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.853 0.359 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -74.49 174.17 9.33 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.808 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.401 ' HA ' ' HE2' ' A' ' 4' ' ' LYS . 3.7 mmpt? -128.29 178.34 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.994 0.426 . . . . 0.0 111.078 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.476 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -159.16 160.38 35.46 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.008 -179.525 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.476 ' H ' HD13 ' A' ' 5' ' ' LEU . 3.5 mt -56.34 90.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.056 0.455 . . . . 0.0 111.109 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 7' ' ' LEU . 3.2 mm? -74.32 -78.91 0.09 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.684 ' HB3' HG11 ' A' ' 39' ' ' VAL . 11.9 t-20 -147.95 31.35 0.86 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.851 0.358 . . . . 0.0 110.956 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.64 HD11 ' O ' ' A' ' 37' ' ' LYS . 3.2 mm? -87.94 -44.52 10.97 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.086 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.29 -36.84 2.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.509 179.044 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -72.14 -42.25 66.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.432 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.933 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -70.41 -45.77 65.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.68 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.603 ' O ' HG22 ' A' ' 17' ' ' ILE . 4.8 mtmm -60.93 -36.14 78.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.495 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -73.85 -34.05 64.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.431 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -37.53 44.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.614 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.606 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -61.51 -48.77 79.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.708 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.972 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.4 tp -63.59 -49.95 80.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.85 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.447 ' N ' HG23 ' A' ' 17' ' ' ILE . 17.1 ttpt -51.89 -48.82 63.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -58.52 -43.16 89.06 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.0 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -66.11 -29.27 69.56 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.684 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.972 HG23 ' O ' ' A' ' 17' ' ' ILE . 30.1 t -74.6 -35.5 38.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.092 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -90.46 -18.11 25.95 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.604 0.24 . . . . 0.0 111.428 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.42 -56.08 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 111.401 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.555 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 109.57 -82.8 0.31 Allowed Glycine 0 C--O 1.225 -0.442 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.06 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.548 ' OG1' HG22 ' A' ' 49' ' ' ILE . 3.2 t 41.91 -166.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.477 ' HB1' ' CD ' ' A' ' 28' ' ' LYS . . . -74.79 106.1 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.625 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 1.0 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -61.52 -30.52 70.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.476 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.477 ' CD ' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -44.26 -32.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.079 0.466 . . . . 0.0 110.734 179.67 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.598 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -70.72 -41.87 71.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.424 179.459 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.911 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -57.57 -31.71 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.785 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.37 -31.58 71.05 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.266 178.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.02 -31.87 66.61 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.729 179.211 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.812 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -71.99 -29.72 34.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.351 -179.739 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.472 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.39 -30.56 52.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.022 0.439 . . . . 0.0 111.166 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.1 -3.0 26.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.172 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.753 ' HB3' HG22 ' A' ' 42' ' ' VAL . . . -38.52 -33.15 0.09 Allowed 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.64 ' O ' HD11 ' A' ' 9' ' ' LEU . 0.1 OUTLIER 66.82 -71.96 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.69 -179.843 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.601 ' O ' HG23 ' A' ' 42' ' ' VAL . 17.8 p -70.81 129.82 40.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.546 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.684 HG11 ' HB3' ' A' ' 8' ' ' ASN . 8.9 m -50.56 -51.61 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.684 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -57.35 -46.71 83.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.203 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.818 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -56.75 -25.98 52.86 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.901 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.753 HG22 ' HB3' ' A' ' 36' ' ' ALA . 1.2 t -77.58 -50.16 20.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.825 0.345 . . . . 0.0 110.985 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.933 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.8 OUTLIER -56.73 -33.17 66.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.422 HG22 ' C ' ' A' ' 41' ' ' GLY . 5.8 t -75.22 -39.43 60.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.347 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.818 ' HG ' ' O ' ' A' ' 41' ' ' GLY . 63.9 mt -57.81 -51.55 69.11 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.141 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.666 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -62.36 -54.42 40.71 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.05 0.453 . . . . 0.0 110.42 179.445 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -27.89 69.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.884 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.462 ' OE1' HD23 ' A' ' 45' ' ' LEU . 7.0 mt-10 -61.53 -40.32 94.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.45 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.0 OUTLIER -70.86 -36.7 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.58 179.697 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -61.78 -29.89 70.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.6 -15.02 27.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.181 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.85 22.36 6.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.738 0.304 . . . . 0.0 111.3 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.5 t -72.42 -40.81 66.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.88 0.371 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.3 t 59.13 89.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.167 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.0 p -149.57 143.99 25.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 . . . . . 0 C--O 1.254 1.29 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.975 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 15.0 p . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.654 0.264 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.7 p -72.01 -64.35 0.96 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.949 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -173.92 -41.34 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.012 0.434 . . . . 0.0 111.193 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 6' ' ' ILE . 1.7 mptt -83.87 1.83 41.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.687 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.616 ' CD2' HD12 ' A' ' 6' ' ' ILE . 20.6 tp 59.86 -83.24 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.246 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.616 HD12 ' CD2' ' A' ' 5' ' ' LEU . 3.4 mt -116.96 120.96 66.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 120.976 0.417 . . . . 0.0 110.725 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.1 mp -98.15 -57.44 2.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -149.52 29.81 0.76 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.5 mm? -88.0 -46.15 9.6 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.374 0.607 . . . . 0.0 109.519 179.201 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.5 -37.2 2.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.486 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -71.22 -44.75 64.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.373 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.731 ' HB1' ' HB ' ' A' ' 42' ' ' VAL . . . -68.91 -44.38 73.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.044 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.69 ' O ' HD12 ' A' ' 17' ' ' ILE . 4.7 tttp -64.63 -51.7 61.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.537 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -50.02 -43.28 50.67 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.719 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.57 -33.21 72.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.517 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -53.48 -48.65 68.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.149 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.987 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.1 mp -72.06 -50.77 34.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.856 179.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -53.02 -48.87 67.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.111 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -58.88 -43.35 90.88 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.866 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -65.72 -32.6 74.25 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 177.766 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 17' ' ' ILE . 39.2 t -70.42 -35.41 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.363 179.127 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -71.81 -17.93 62.13 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.982 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.89 -77.81 0.45 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.861 0.363 . . . . 0.0 111.307 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.499 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 142.17 -71.32 0.41 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.05 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.569 ' OG1' HG22 ' A' ' 49' ' ' ILE . 4.2 t 41.69 -166.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.076 0.465 . . . . 0.0 112.169 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.25 96.97 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.859 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.945 ' O ' HG22 ' A' ' 30' ' ' ILE . 2.8 mt-10 -55.24 -29.13 57.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.918 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -44.57 -34.91 2.31 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.119 0.485 . . . . 0.0 110.732 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.595 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -70.55 -41.59 72.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.223 179.421 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.945 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -58.52 -31.98 44.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 109.506 -0.554 . . . . 0.0 109.506 179.04 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -69.46 -31.43 69.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.599 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.84 -31.78 69.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.691 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.783 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -75.3 -29.54 21.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.253 -179.602 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.408 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -37.9 -40.08 0.42 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 111.392 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -109.74 -30.72 7.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.247 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.736 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . 39.73 -112.89 0.14 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.923 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm 179.35 -40.23 0.01 OUTLIER 'General case' 0 C--O 1.231 0.106 0 CA-C-O 121.165 0.507 . . . . 0.0 110.078 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.67 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -146.69 -163.87 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.233 179.67 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -76.83 -54.92 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.909 0.385 . . . . 0.0 111.083 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -65.52 -30.47 71.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.506 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -59.4 -35.09 83.68 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.023 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.794 ' HA ' HD12 ' A' ' 45' ' ' LEU . 2.1 t -78.59 -46.46 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.534 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 89.6 m95 -60.01 -28.11 67.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.436 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.603 HG22 ' HG3' ' A' ' 48' ' ' GLU . 57.8 m -78.56 -35.77 45.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.116 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' A' ' 42' ' ' VAL . 8.3 mt -62.97 -51.66 66.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.068 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.689 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -64.98 -41.95 94.98 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.051 0.453 . . . . 0.0 110.359 179.362 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -71.93 -24.58 61.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.835 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.603 ' HG3' HG22 ' A' ' 44' ' ' THR . 0.2 OUTLIER -69.57 -31.47 69.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.743 -179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -81.6 -39.14 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.76 179.785 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -29.19 67.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.478 ' O ' HG22 ' A' ' 53' ' ' THR . 71.4 p -99.71 -39.5 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.73 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 60.34 23.38 12.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.06 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 51' ' ' THR . 5.0 t -162.93 141.37 8.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.873 0.368 . . . . 0.0 110.995 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.577 HG21 ' OE2' ' A' ' 48' ' ' GLU . 21.8 t -131.01 146.09 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.077 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.7 p -76.77 -46.04 26.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.917 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.807 0.336 . . . . 0.0 111.4 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.71 163.66 27.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.984 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -81.27 131.93 35.32 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.744 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -112.88 27.46 9.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.76 96.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.048 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.484 ' CG2' HD23 ' A' ' 9' ' ' LEU . 3.5 mt -110.88 109.58 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.03 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.17 -74.64 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -174.7 89.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.484 HD23 ' CG2' ' A' ' 6' ' ' ILE . 3.9 mm? -87.89 -42.02 12.8 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.417 0.627 . . . . 0.0 109.377 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -46.61 -36.82 7.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.254 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -69.12 -39.39 78.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.164 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.9 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -73.7 -45.12 54.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.685 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -58.45 -51.16 71.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.655 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.31 -37.81 78.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.489 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.67 -33.98 74.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.446 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.511 ' HB2' HD13 ' A' ' 33' ' ' ILE . . . -60.26 -47.76 84.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.718 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.964 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.6 tp -73.18 -50.39 31.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.492 ' N ' HG23 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -55.35 -48.71 73.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.474 179.665 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -56.53 -43.58 79.99 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.761 HD13 ' CG1' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -64.93 -33.48 76.12 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 177.698 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.964 HG23 ' O ' ' A' ' 17' ' ' ILE . 34.6 t -70.82 -34.93 58.09 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.676 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.24 -24.11 27.95 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.364 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.428 ' HB3' ' NZ ' ' A' ' 50' ' ' LYS . . . -109.76 -75.61 0.62 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.804 0.335 . . . . 0.0 111.193 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.54 111.37 3.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.253 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.524 HG23 HG21 ' A' ' 49' ' ' ILE . 4.7 t -162.95 -167.44 1.51 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.934 0.397 . . . . 0.0 111.121 -179.401 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.13 84.7 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.101 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.675 ' HA ' HD21 ' A' ' 20' ' ' LEU . 5.1 pt-20 -48.62 -29.05 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.164 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 3.8 tptp -44.88 -41.26 6.97 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.706 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -62.19 -35.85 80.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.063 0.458 . . . . 0.0 109.766 179.382 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.761 ' CG1' HD13 ' A' ' 20' ' ' LEU . 3.0 mm -64.23 -31.98 55.61 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.689 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -63.84 -31.19 72.28 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.129 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tp -72.71 -32.86 66.06 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.76 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.793 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -70.12 -29.59 40.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.223 -179.694 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.457 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.45 -29.58 50.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.903 0.382 . . . . 0.0 111.044 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.86 -3.24 42.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.249 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.699 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -47.48 132.48 13.5 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.945 0.402 . . . . 0.0 111.312 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -115.68 29.57 7.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.475 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.674 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -162.43 134.86 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.628 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.0 m -54.27 -36.6 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.155 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.576 ' O ' HG23 ' A' ' 44' ' ' THR . 16.3 tp10 -75.31 -36.39 61.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.075 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.663 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -65.0 -28.35 73.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.562 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.699 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -83.11 -51.58 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.361 . . . . 0.0 110.682 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.9 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -58.28 -29.14 65.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.543 179.446 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 40' ' ' GLU . 24.8 p -77.33 -45.09 27.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.216 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.793 ' CB ' HG22 ' A' ' 33' ' ' ILE . 64.0 mt -54.92 -51.11 67.08 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.395 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.697 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.9 pttp -65.0 -51.23 62.82 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.999 0.428 . . . . 0.0 110.785 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -64.8 -24.65 67.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.014 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' THR . 12.5 mt-10 -68.12 -39.25 82.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.693 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.706 HD11 ' HB3' ' A' ' 29' ' ' TYR . 1.3 mt -69.62 -40.42 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.679 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.428 ' NZ ' ' HB3' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -66.74 -26.18 66.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.018 -179.883 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.0 m -78.23 -47.89 16.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.785 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CD2' HG23 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -159.15 -156.88 0.55 Allowed 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.956 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.48 ' N ' ' CG ' ' A' ' 52' ' ' PHE . 3.8 t -179.62 69.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.772 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.569 HG23 ' CD2' ' A' ' 52' ' ' PHE . 8.5 t -116.94 133.35 63.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 m 62.71 88.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.805 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 33.7 p . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.713 0.292 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m -105.31 50.79 0.77 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.045 0.45 . . . . 0.0 110.63 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -66.51 174.39 2.81 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.617 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -137.52 -174.4 3.75 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.77 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.682 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -161.7 150.75 15.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.888 -179.306 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.682 ' H ' HD13 ' A' ' 5' ' ' LEU . 3.9 mt -77.91 89.36 1.09 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.143 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.5 mp -74.51 -76.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.844 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -127.61 30.39 5.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.812 0.339 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.53 HD23 ' HE3' ' A' ' 13' ' ' LYS . 1.7 mp -88.03 -46.74 9.08 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.478 ' HD3' HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -44.92 -36.55 3.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.395 178.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -82.34 -39.29 23.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.262 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.701 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -64.75 -48.96 72.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.851 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.686 ' O ' HD12 ' A' ' 17' ' ' ILE . 17.3 mttt -69.3 -51.48 36.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.759 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -48.72 -37.76 19.65 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.538 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.404 ' OE1' ' CZ2' ' A' ' 43' ' ' TRP . 4.3 mt-10 -74.68 -33.15 62.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.504 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.539 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -54.36 -44.93 72.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.038 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.967 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.0 mp -75.86 -48.27 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.787 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -48.77 75.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.642 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.81 -44.52 90.83 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 178.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.917 HD13 HD11 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -61.9 -37.49 84.82 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.584 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.967 HG23 ' O ' ' A' ' 17' ' ' ILE . 49.7 t -62.65 -35.1 68.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.74 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -67.84 -23.25 65.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.884 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -130.4 -82.34 0.54 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.79 0.328 . . . . 0.0 111.268 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.484 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 150.79 -75.03 0.25 Allowed Glycine 0 CA--C 1.517 0.184 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.112 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.666 HG21 HG21 ' A' ' 49' ' ' ILE . 6.0 t 40.08 -163.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.163 0.506 . . . . 0.0 112.174 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.61 ' HB2' ' OXT' ' A' ' 56' ' ' GLU . . . -77.73 101.8 6.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.147 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.746 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -58.13 -29.2 65.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.756 179.714 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.28 -30.97 5.33 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.94 0.4 . . . . 0.0 110.31 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.712 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -61.42 -34.92 76.21 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.719 179.072 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.917 HD11 HD13 ' A' ' 20' ' ' LEU . 2.7 mm -70.58 -31.86 47.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.697 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -59.51 -30.97 68.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.335 178.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.06 -36.0 41.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.977 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.863 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -65.65 -29.53 47.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.444 -179.693 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.462 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -41.13 -43.22 2.21 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.907 0.384 . . . . 0.0 111.051 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -106.07 -30.7 9.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.061 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.571 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . 38.67 -94.57 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.084 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 164.44 -33.83 0.0 OUTLIER 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.078 0.466 . . . . 0.0 109.901 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.779 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -163.11 175.11 11.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.249 179.774 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 40' ' ' GLU . 16.3 m -54.75 -47.33 74.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.464 ' N ' HG23 ' A' ' 39' ' ' VAL . 33.3 tt0 -69.32 -40.38 77.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.602 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -54.84 -34.87 57.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.188 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 38' ' ' THR . 1.7 t -74.11 -49.97 30.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.95 0.405 . . . . 0.0 110.112 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.701 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -56.38 -29.83 61.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.143 179.101 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.3 m -69.27 -54.17 16.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.3 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.863 ' CB ' HG22 ' A' ' 33' ' ' ILE . 4.4 mm? -51.41 -54.39 27.14 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.648 0.261 . . . . 0.0 111.362 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.755 ' HA ' HD12 ' A' ' 49' ' ' ILE . 7.5 pttt -60.63 -55.16 36.62 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.853 0.359 . . . . 0.0 111.353 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.94 -32.93 73.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.879 0.371 . . . . 0.0 111.029 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -33.81 70.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.178 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 46' ' ' LYS . 2.0 mt -76.38 -32.73 22.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.587 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -69.18 -49.38 57.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.787 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -20.13 63.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.158 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.646 ' O ' HG22 ' A' ' 53' ' ' THR . 16.1 t80 -96.44 26.99 4.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.14 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.646 HG22 ' O ' ' A' ' 52' ' ' PHE . 7.9 t 51.02 172.97 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.596 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.07 99.7 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.7 p -140.96 -47.75 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.747 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.61 ' OXT' ' HB2' ' A' ' 26' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.146 -0.93 . . . . 0.0 110.826 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 29.2 m . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.544 0.211 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.4 p 54.04 38.83 29.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.367 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -133.49 167.33 20.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.8 mtpp -79.56 61.61 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.108 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 61.91 30.88 18.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.338 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.8 mt -121.85 115.65 47.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.3 mp -106.69 -65.81 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.961 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -179.2 -34.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.199 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 9' ' ' LEU . 3.9 mm? -87.56 -42.05 13.01 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.361 0.6 . . . . 0.0 109.431 179.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -36.98 4.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.287 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -66.26 -42.76 88.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.359 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.534 ' HB1' ' HB ' ' A' ' 42' ' ' VAL . . . -74.82 -42.99 56.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.878 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -62.89 -48.51 78.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.37 -45.35 93.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.31 -35.71 81.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.605 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -60.16 -42.47 94.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.987 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -77.46 -41.85 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.586 179.888 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.401 ' O ' ' HB ' ' A' ' 21' ' ' VAL . 34.4 tttm -63.2 -48.88 76.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.363 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -56.75 -45.61 81.92 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.748 HD13 HD11 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -59.37 -34.52 72.5 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.397 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 17' ' ' ILE . 60.2 t -67.05 -35.41 74.48 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.475 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.95 -22.43 27.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.415 ' HB2' ' HE2' ' A' ' 50' ' ' LYS . . . -100.68 -70.7 0.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.401 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.7 90.71 2.03 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.177 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.566 ' CG2' HG21 ' A' ' 49' ' ' ILE . 2.4 t -149.81 -171.21 3.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.955 0.407 . . . . 0.0 110.975 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.44 87.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.334 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.718 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.64 -28.86 6.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.052 179.754 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -43.66 -38.59 3.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.977 0.418 . . . . 0.0 111.08 179.774 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.601 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -59.93 -37.77 80.45 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.748 HD11 HD13 ' A' ' 20' ' ' LEU . 2.3 mm -63.98 -33.05 59.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.798 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 10.4 tptm -60.69 -31.24 70.5 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -31.64 61.58 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.534 178.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.611 HG22 ' HB2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -70.35 -29.53 39.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.676 -179.384 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.492 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.88 -33.14 61.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.954 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -99.69 -2.8 34.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.996 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.718 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -35.87 -35.4 0.06 Allowed 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 36' ' ' ALA . 6.7 mttm 66.68 -66.26 0.19 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.175 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.55 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -78.6 133.91 37.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.562 179.471 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.496 HG12 ' HE1' ' A' ' 43' ' ' TRP . 13.7 t -54.71 -49.81 65.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.493 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -47.4 82.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.179 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.574 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -55.46 -28.74 51.79 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.789 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.718 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -74.38 -49.66 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.719 -179.866 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.496 ' HE1' HG12 ' A' ' 39' ' ' VAL . 72.6 m95 -56.18 -28.78 59.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -75.09 -53.5 8.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.297 -179.717 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.611 ' HB2' HG22 ' A' ' 33' ' ' ILE . 91.4 mt -48.14 -49.12 33.39 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.332 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.583 ' HA ' HD12 ' A' ' 49' ' ' ILE . 6.6 ttmt -63.06 -55.55 24.53 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.164 0.507 . . . . 0.0 110.298 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -24.57 65.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.206 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 44' ' ' THR . 3.8 tm-20 -66.65 -46.71 74.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.765 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.601 HD11 ' HB3' ' A' ' 29' ' ' TYR . 1.1 mt -63.69 -43.23 98.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.725 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -60.46 -26.35 66.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.131 -179.797 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.6 p -89.61 -24.46 21.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.197 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -104.84 26.3 9.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.174 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.479 ' O ' ' O ' ' A' ' 54' ' ' VAL . 14.9 t -118.67 -159.81 0.77 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.479 ' O ' ' O ' ' A' ' 53' ' ' THR . 15.9 m 46.54 113.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 121.332 0.587 . . . . 0.0 112.431 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.6 m 70.44 153.96 0.12 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.016 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.863 -179.894 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 120.766 0.317 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.1 t 43.01 92.26 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.44 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -70.67 163.1 27.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.015 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.88 -169.47 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tp -172.54 117.37 0.34 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.042 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mt -90.91 118.35 35.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.048 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 mp -108.64 -58.01 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.044 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.519 ' CG ' HG11 ' A' ' 39' ' ' VAL . 3.4 t-20 -179.94 -35.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.077 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.68 -43.53 11.86 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.415 0.626 . . . . 0.0 109.405 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.52 -36.91 4.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.487 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -71.29 -38.89 71.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.328 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.955 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -74.39 -44.12 53.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.869 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -56.84 -51.29 69.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.83 -34.72 79.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.634 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.93 -43.79 82.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.71 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.522 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -59.2 -40.82 86.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 1.018 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -77.77 -42.34 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.558 179.679 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' HB ' ' A' ' 21' ' ' VAL . 16.9 ttpp -61.74 -48.72 79.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.394 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.78 -45.3 90.11 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.715 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -60.56 -35.29 75.69 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.673 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.018 HG23 ' O ' ' A' ' 17' ' ' ILE . 64.0 t -63.15 -35.33 71.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.868 178.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.23 -22.73 64.77 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.012 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -132.41 -83.28 0.49 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.548 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.587 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 151.77 -78.3 0.21 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.025 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.548 ' CG2' HG21 ' A' ' 49' ' ' ILE . 0.9 OUTLIER 42.75 -174.37 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.289 0.566 . . . . 0.0 112.224 179.289 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.46 97.63 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.151 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.715 ' HA ' HD21 ' A' ' 20' ' ' LEU . 14.4 tt0 -56.76 -29.3 62.47 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.668 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -46.15 -38.22 7.94 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.006 0.432 . . . . 0.0 111.125 179.824 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.561 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -57.61 -36.66 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.174 0.511 . . . . 0.0 109.863 179.122 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.71 HD11 HD13 ' A' ' 20' ' ' LEU . 2.5 mm -65.63 -39.84 86.18 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.547 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 11.0 tptm -51.53 -30.99 22.42 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.34 -31.88 60.71 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.81 178.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.676 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -63.47 -29.86 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.033 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.481 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -57.43 -35.94 70.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 110.765 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.8 -2.81 57.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.121 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.643 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -40.12 -31.73 0.14 Allowed 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.51 -70.49 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.918 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.425 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 76.0 p -79.63 -179.46 6.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.359 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.519 HG11 ' CG ' ' A' ' 8' ' ' ASN . 34.8 m -88.79 -46.29 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 111.392 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.495 ' N ' HG23 ' A' ' 39' ' ' VAL . 1.4 mt-10 -58.4 -45.82 87.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.281 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.88 -28.01 57.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.965 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.643 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -76.77 -52.88 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.324 . . . . 0.0 110.825 -179.859 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.955 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -56.68 -29.29 62.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.747 179.719 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.431 HG22 ' HG3' ' A' ' 48' ' ' GLU . 23.1 m -73.61 -48.96 28.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.249 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 33' ' ' ILE . 70.0 mt -53.89 -52.14 61.47 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.489 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.725 ' HA ' HD12 ' A' ' 49' ' ' ILE . 4.0 pttp -61.41 -53.2 59.61 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.891 0.377 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.69 -30.27 71.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' HG3' HG22 ' A' ' 44' ' ' THR . 1.5 mm-40 -61.51 -34.53 75.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.452 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.4 mt -76.46 -33.77 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.708 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -66.65 -40.81 88.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.1 m -70.65 -38.22 73.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.977 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -172.47 178.71 2.68 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.688 ' O ' HG13 ' A' ' 54' ' ' VAL . 38.5 p -145.0 -82.92 0.15 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.673 0.273 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.688 HG13 ' O ' ' A' ' 53' ' ' THR . 1.5 m -164.6 149.18 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 120.953 0.406 . . . . 0.0 110.949 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.2 p -127.87 141.68 51.49 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.88 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.798 0.332 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 m -114.01 104.25 11.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -156.37 93.1 1.37 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.08 36.67 4.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 68.85 -67.66 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.037 179.374 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.9 mt -58.64 88.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.147 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.475 ' O ' ' CB ' ' A' ' 8' ' ' ASN . 2.3 tp -131.71 146.98 52.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 1.3 t-20 85.42 -16.64 0.46 Allowed 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.331 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.9 mm? -87.89 -39.76 14.53 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.041 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.7 -36.56 3.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.959 178.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -74.32 -42.13 59.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.146 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.919 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -64.67 -46.24 83.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.637 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -63.32 -40.98 98.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.507 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -70.13 -34.11 72.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.132 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.408 ' OE1' ' CZ2' ' A' ' 43' ' ' TRP . 25.1 tt0 -76.95 -35.2 57.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.45 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.5 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -60.19 -49.32 78.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.617 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.898 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.7 tp -67.09 -47.47 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.11 0.481 . . . . 0.0 110.571 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.449 ' N ' HG23 ' A' ' 17' ' ' ILE . 8.8 ttmm -54.08 -48.7 70.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.705 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -58.26 -44.46 88.38 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.823 HD13 ' CD1' ' A' ' 30' ' ' ILE . 0.4 OUTLIER -61.66 -38.08 86.42 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.528 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 17' ' ' ILE . 44.3 t -62.53 -35.19 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.196 179.163 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -70.87 -20.2 62.55 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.03 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.89 -83.86 0.55 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.504 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 153.62 -79.97 0.19 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.293 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.608 HG21 HG21 ' A' ' 49' ' ' ILE . 5.8 t 40.33 -163.6 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.74 109.51 14.22 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.553 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.674 ' HA ' HD21 ' A' ' 20' ' ' LEU . 2.1 pp20? -63.0 -28.6 70.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.233 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -47.23 -28.81 2.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.047 0.451 . . . . 0.0 110.184 179.239 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.615 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -62.63 -36.53 83.1 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.864 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.823 ' CD1' HD13 ' A' ' 20' ' ' LEU . 1.1 mp -62.96 -40.76 90.19 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 177.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -53.71 -31.04 46.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.443 178.321 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.92 -31.99 45.46 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.061 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.772 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -75.26 -29.8 21.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.522 -179.42 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.438 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -55.12 -29.29 57.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 110.939 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -105.84 -2.79 22.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.158 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.651 ' HB3' HG22 ' A' ' 42' ' ' VAL . . . -37.63 -33.37 0.07 Allowed 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? 67.04 -70.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.807 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -73.47 137.37 44.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.579 179.652 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 40' ' ' GLU . 18.1 m -53.62 -46.66 61.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.508 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.469 ' N ' HG23 ' A' ' 39' ' ' VAL . 1.8 tt0 -60.85 -45.46 94.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.122 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.536 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -57.28 -24.84 53.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.817 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.651 HG22 ' HB3' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -83.32 -53.11 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.916 0.389 . . . . 0.0 110.785 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.919 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.8 OUTLIER -58.95 -31.76 69.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.798 179.851 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' GLU . 15.1 t -76.14 -40.58 52.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.26 -179.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.772 ' CB ' HG22 ' A' ' 33' ' ' ILE . 30.0 mt -56.81 -52.2 65.97 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.84 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.725 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.96 -52.67 63.1 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.925 0.393 . . . . 0.0 110.695 179.578 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.38 -31.18 71.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.711 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' THR . 14.1 tt0 -59.02 -35.24 72.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.178 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 46' ' ' LYS . 2.1 mt -74.79 -35.63 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.517 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -70.17 -43.07 71.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.949 HG22 HG22 ' A' ' 54' ' ' VAL . 3.9 m -81.08 -27.48 35.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.1 t80 63.16 26.15 15.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.073 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 57.75 87.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.949 HG22 HG22 ' A' ' 51' ' ' THR . 5.5 m -133.4 99.6 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.572 ' O ' HG22 ' A' ' 55' ' ' THR . 55.2 m -141.46 43.53 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.773 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.243 -0.885 . . . . 0.0 110.947 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.823 0.344 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -160.18 136.35 8.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.979 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -92.78 172.23 8.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.708 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -120.76 -3.03 9.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.507 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 61.76 -167.69 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.861 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.64 HG23 HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -63.24 94.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.178 179.668 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 7' ' ' LEU . 2.6 tm? -109.14 -48.94 3.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.741 0.305 . . . . 0.0 111.054 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -144.79 78.55 1.57 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.167 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.64 HD23 HG23 ' A' ' 6' ' ' ILE . 4.3 mm? -87.81 -43.38 11.89 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -45.12 -36.69 3.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.359 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.84 -44.96 72.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.099 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . . . -67.76 -46.16 72.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.573 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -62.16 -51.4 67.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.561 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -62.42 -36.49 82.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.414 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.8 -33.3 66.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.438 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.429 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -58.59 -49.33 77.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.685 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.961 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.6 tp -64.36 -46.14 93.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.181 0.515 . . . . 0.0 110.357 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.407 ' N ' HG23 ' A' ' 17' ' ' ILE . 0.6 OUTLIER -55.69 -48.69 74.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.503 179.519 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.89 -44.92 78.65 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.841 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -62.91 -34.2 76.93 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 177.417 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.961 HG23 ' O ' ' A' ' 17' ' ' ILE . 38.3 t -70.79 -35.27 59.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.767 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.34 -26.43 55.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.246 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.77 -79.24 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 111.295 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.19 59.02 0.3 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.315 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.684 ' CG2' HG21 ' A' ' 49' ' ' ILE . 13.9 t -107.48 175.99 5.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.948 0.404 . . . . 0.0 111.016 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.62 99.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.398 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.892 ' O ' HG22 ' A' ' 30' ' ' ILE . 3.7 mt-10 -54.02 -29.24 42.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.38 -34.19 1.21 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.134 0.492 . . . . 0.0 110.338 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.532 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -72.52 -43.76 63.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.241 179.232 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.892 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -60.1 -32.75 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.129 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -66.88 -32.13 73.19 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.592 178.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.51 -31.64 72.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.565 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.775 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -76.11 -29.49 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.354 -179.767 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.457 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -36.77 -44.56 0.49 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.961 0.41 . . . . 0.0 111.525 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.11 -30.78 8.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.305 179.209 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.732 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . 40.29 -113.86 0.17 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.85 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.2 tttt 178.26 -39.59 0.01 OUTLIER 'General case' 0 C--O 1.23 0.073 0 CA-C-O 121.071 0.463 . . . . 0.0 110.09 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.778 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -149.08 171.63 16.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.31 179.795 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -54.93 -54.79 20.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.269 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.06 -41.47 99.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.804 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -53.12 -33.33 44.8 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.537 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 38' ' ' THR . 2.1 t -78.47 -50.63 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.874 0.369 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.418 ' CE2' ' HB2' ' A' ' 12' ' ' ALA . 92.7 m95 -57.11 -33.91 67.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.451 HG22 ' O ' ' A' ' 41' ' ' GLY . 14.8 t -74.97 -35.03 62.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.804 ' HG ' ' O ' ' A' ' 41' ' ' GLY . 83.3 mt -60.44 -53.04 62.29 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.122 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.71 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.85 -51.4 68.38 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.951 0.405 . . . . 0.0 110.334 179.32 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -62.86 -29.41 70.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.656 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 44' ' ' THR . 6.5 mt-10 -60.1 -37.49 80.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.301 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.3 mt -73.95 -34.71 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.615 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -63.41 -31.63 72.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.9 m -101.91 -34.53 9.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.244 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -97.25 29.95 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.142 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 49' ' ' ILE . 16.4 p -46.67 131.61 11.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.24 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.4 m -56.74 -22.21 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.599 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 m -64.35 80.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.8 0.333 . . . . 0.0 110.968 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.054 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 CA--C 1.515 -0.382 0 CA-C-O 121.505 0.669 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -45.22 -36.75 4.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.33 179.164 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -72.83 -40.95 65.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.221 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.687 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -67.72 -46.2 72.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.738 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.68 ' O ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -68.85 -51.51 39.63 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.151 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -49.46 -37.06 24.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.943 0.401 . . . . 0.0 110.594 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -70.7 -33.11 70.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.273 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -56.41 -43.48 79.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.879 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.993 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.2 mp -71.7 -51.21 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.432 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -48.74 71.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.617 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -57.27 -44.09 83.63 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.865 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -64.49 -31.67 72.98 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 177.572 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.993 HG23 ' O ' ' A' ' 17' ' ' ILE . 29.9 t -73.5 -35.2 44.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.693 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -86.0 -26.47 25.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.832 0.348 . . . . 0.0 111.217 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.56 -60.33 1.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.264 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.8 68.12 1.3 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.327 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.537 ' CG2' HG21 ' A' ' 49' ' ' ILE . 12.9 t -121.83 -170.94 2.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.122 0.487 . . . . 0.0 111.378 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.34 99.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.168 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.939 ' O ' HG22 ' A' ' 30' ' ' ILE . 1.0 OUTLIER -56.32 -28.93 60.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.988 -179.713 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.02 -34.68 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.129 0.49 . . . . 0.0 110.337 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.562 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -72.33 -41.03 66.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.382 179.193 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.939 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -60.11 -32.11 49.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.336 0.588 . . . . 0.0 109.43 178.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -68.65 -31.6 70.85 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.537 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.68 -31.99 72.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.612 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.782 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -74.77 -29.79 23.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.042 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.427 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -51.3 -27.66 10.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.065 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.49 -13.72 25.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.276 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.749 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -46.83 132.85 11.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.421 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -104.61 -31.23 9.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.684 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.658 ' O ' HG23 ' A' ' 42' ' ' VAL . 3.0 p -96.35 138.51 33.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.707 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.2 m -55.83 -40.43 61.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.296 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.35 -42.52 79.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.496 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.25 -30.03 63.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.458 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.749 HG22 ' HB1' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -80.39 -50.68 17.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.765 0.317 . . . . 0.0 110.486 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.687 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -58.07 -31.99 67.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.135 0.493 . . . . 0.0 110.486 179.377 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.3 m -73.48 -42.01 62.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.287 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.782 ' CB ' HG22 ' A' ' 33' ' ' ILE . 9.6 mt -57.74 -50.89 71.73 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.311 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.704 ' HA ' HD12 ' A' ' 49' ' ' ILE . 2.1 pttp -61.57 -51.85 66.87 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.015 0.436 . . . . 0.0 110.726 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -64.15 -32.42 73.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.711 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -57.9 -34.7 70.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.39 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.2 mt -77.26 -33.93 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.387 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -57.3 -32.67 66.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.641 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.907 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 9' ' ' LEU . 3.7 mm? . . . . . 0 CA--C 1.515 -0.399 0 CA-C-O 121.447 0.641 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.25 -36.4 2.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.509 179.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -78.32 -39.9 38.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.141 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.832 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -65.61 -48.18 73.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.728 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.69 ' O ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -68.27 -43.66 77.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.655 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -51.17 -39.63 56.8 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.489 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -33.2 65.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.445 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.56 -47.39 70.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.182 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 1.0 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.1 mp -74.16 -51.42 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.728 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.26 -49.02 67.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.81 -43.85 90.67 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.978 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -64.49 -31.04 72.09 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.687 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 1.0 HG23 ' O ' ' A' ' 17' ' ' ILE . 25.2 t -74.16 -35.51 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.982 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.94 -18.08 60.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.3 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.66 -71.35 0.62 Allowed 'General case' 0 C--O 1.238 0.46 0 CA-C-O 120.992 0.425 . . . . 0.0 111.334 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.577 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 136.92 -87.77 0.22 Allowed Glycine 0 N--CA 1.452 -0.267 0 N-CA-C 111.611 -0.596 . . . . 0.0 111.611 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.513 ' CG2' HG21 ' A' ' 49' ' ' ILE . 0.6 OUTLIER 46.93 179.18 0.01 OUTLIER 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 179.242 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.69 107.67 1.01 Allowed 'General case' 0 C--O 1.222 -0.368 0 CA-C-O 121.21 0.529 . . . . 0.0 110.682 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.978 ' HA ' HD21 ' A' ' 20' ' ' LEU . 3.5 mt-10 -64.8 -29.36 70.32 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.868 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -42.32 -34.8 0.85 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.074 0.464 . . . . 0.0 110.476 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.493 ' CG ' HG12 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -67.75 -43.69 79.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.498 179.422 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.9 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -56.22 -31.92 33.42 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.086 0 CA-C-O 121.327 0.584 . . . . 0.0 109.476 178.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -31.39 71.47 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.298 178.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -31.81 69.09 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.811 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.779 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -73.8 -29.7 26.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.365 -179.568 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.414 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -50.84 -27.15 6.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 111.243 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -109.46 -2.8 17.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.262 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.623 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -35.8 -37.21 0.09 Allowed 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 36' ' ' ALA . 1.1 mmmm 66.19 -66.37 0.17 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.836 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.554 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.3 p -72.6 133.95 44.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.6 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 t -54.9 -52.47 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.564 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 44' ' ' THR . 1.7 tp10 -59.15 -39.41 82.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.193 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.539 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -61.76 -27.53 68.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.828 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.623 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.4 OUTLIER -79.34 -50.6 17.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.86 0.362 . . . . 0.0 110.764 -179.805 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.832 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -54.5 -32.79 58.66 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.4 179.543 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 40' ' ' GLU . 82.1 p -73.54 -51.37 17.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.166 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.779 ' CB ' HG22 ' A' ' 33' ' ' ILE . 19.3 mt -47.62 -51.36 21.59 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.692 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.727 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -63.65 -46.47 85.48 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.174 0.512 . . . . 0.0 110.516 179.592 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -67.85 -24.58 65.28 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.344 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' THR . 2.1 tt0 -71.68 -31.13 66.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.988 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.1 mt -78.63 -37.46 20.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.872 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -26.4 60.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.99 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.7 p . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.898 179.824 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.454 HD12 HG21 ' A' ' 42' ' ' VAL . 4.6 mm? . . . . . 0 CA--C 1.516 -0.346 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.16 -36.64 3.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.265 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -65.92 -47.4 74.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.116 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.439 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -67.23 -45.33 77.09 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.62 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -60.99 -51.48 69.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.554 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -62.33 -33.3 74.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.453 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -76.52 -33.3 58.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.032 0.444 . . . . 0.0 110.347 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.776 ' HB1' HD11 ' A' ' 30' ' ' ILE . . . -58.75 -43.41 90.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.859 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.958 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.2 mm -72.23 -49.62 41.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.235 0.54 . . . . 0.0 110.352 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -54.12 -48.71 70.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.608 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -44.0 82.53 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.898 HD13 HG12 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -64.7 -33.16 75.3 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.7 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 17' ' ' ILE . 34.6 t -71.43 -35.22 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.705 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.73 -17.9 62.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.74 -77.22 0.51 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.429 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.539 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 144.97 -83.0 0.2 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.175 -179.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.462 ' CG2' HG21 ' A' ' 49' ' ' ILE . 0.6 OUTLIER 46.92 179.26 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.007 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.527 ' HB1' ' CD ' ' A' ' 28' ' ' LYS . . . -66.97 97.36 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.002 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.872 ' HA ' HD21 ' A' ' 20' ' ' LEU . 1.7 pt-20 -54.54 -28.72 47.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.329 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.527 ' CD ' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -42.34 -45.24 4.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.949 0.404 . . . . 0.0 110.751 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.441 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -63.09 -41.34 99.38 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.218 0.532 . . . . 0.0 109.721 178.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.898 HG12 HD13 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -54.5 -43.18 62.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.574 178.693 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.49 -31.35 67.77 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.715 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -33.61 75.92 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.351 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.724 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -73.99 -29.95 26.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.414 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -50.68 -26.26 5.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.529 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -99.88 -3.16 33.09 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 111.491 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.819 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -54.04 134.26 43.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.859 0.362 . . . . 0.0 111.306 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.5 ' HG2' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -102.14 -28.49 12.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.065 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 42' ' ' VAL . 36.4 p -110.45 143.56 40.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.751 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 40' ' ' GLU . 21.4 m -53.16 -45.69 54.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.334 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.478 ' N ' HG23 ' A' ' 39' ' ' VAL . 1.1 tt0 -55.89 -52.78 62.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.334 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.81 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -55.18 -28.15 48.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.733 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.819 HG22 ' HB1' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -84.33 -45.98 17.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.894 0.378 . . . . 0.0 110.692 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.439 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 79.8 m95 -63.42 -30.56 71.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.772 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.0 t -78.72 -40.74 32.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.285 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.81 ' HG ' ' O ' ' A' ' 41' ' ' GLY . 61.9 mt -58.59 -51.86 68.13 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.068 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.732 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -64.54 -44.57 90.4 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.948 0.404 . . . . 0.0 110.661 179.691 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -69.16 -24.74 64.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.139 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -71.99 -32.96 67.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.732 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.4 mt -77.97 -38.62 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.987 0.423 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -75.89 -29.23 58.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.803 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 CA--C 1.514 -0.424 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -44.4 -36.86 3.06 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.05 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -61.07 -47.52 85.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.711 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.805 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -68.15 -45.06 74.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.258 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HA ' ' CD1' ' A' ' 33' ' ' ILE . 9.6 mttt -56.86 -48.93 76.95 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.703 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.53 -34.15 68.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.576 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -71.75 -43.0 66.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.638 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.39 -49.24 67.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.972 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.2 tp -63.5 -49.08 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.431 ' N ' HG23 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -55.03 -48.89 72.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.792 179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.414 ' HB3' ' CE ' ' A' ' 50' ' ' LYS . 9.8 mm-40 -57.59 -43.85 84.94 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.895 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -63.94 -33.57 76.01 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.543 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.972 HG23 ' O ' ' A' ' 17' ' ' ILE . 38.9 t -70.5 -35.31 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.487 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -72.71 -23.22 60.83 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.87 -76.08 0.58 Allowed 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.33 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.492 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 141.36 -73.9 0.37 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.149 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.552 ' OG1' HG22 ' A' ' 49' ' ' ILE . 4.9 t 42.0 -165.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.67 103.12 8.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.632 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.908 ' O ' HG22 ' A' ' 30' ' ' ILE . 2.3 mt-10 -56.59 -31.03 63.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.229 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.31 -35.28 1.44 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.211 0.529 . . . . 0.0 110.784 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.49 ' CG ' HG12 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -69.66 -42.77 73.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.328 179.534 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.908 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -56.29 -31.83 33.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -68.83 -31.64 70.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.28 178.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.83 -32.01 72.26 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.716 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.775 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -75.93 -29.86 20.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 -179.724 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.424 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -53.33 -25.19 14.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.139 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.63 -3.09 33.92 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.407 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.709 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -52.92 134.85 37.31 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.914 0.387 . . . . 0.0 111.114 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.52 -30.6 11.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.592 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.565 ' O ' HG23 ' A' ' 42' ' ' VAL . 31.8 p -99.98 140.34 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.455 HG13 ' HZ3' ' A' ' 43' ' ' TRP . 49.0 t -56.07 -48.36 79.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.96 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.82 ' O ' HG23 ' A' ' 44' ' ' THR . 0.3 OUTLIER -62.86 -41.03 99.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.824 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.718 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -56.53 -30.95 59.64 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.595 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.709 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -77.92 -51.55 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.818 0.342 . . . . 0.0 110.832 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.805 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -57.39 -37.6 72.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.747 179.703 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.82 HG23 ' O ' ' A' ' 40' ' ' GLU . 50.7 p -67.88 -42.88 80.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.204 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.775 ' CB ' HG22 ' A' ' 33' ' ' ILE . 75.9 mt -55.37 -49.61 71.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.622 0.248 . . . . 0.0 111.152 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.733 ' HA ' HD12 ' A' ' 49' ' ' ILE . 6.2 pttp -66.68 -50.4 62.99 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.246 0.546 . . . . 0.0 110.68 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.92 -24.64 67.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.011 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' THR . 47.6 tt0 -70.63 -38.82 73.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.733 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.3 mt -69.04 -38.57 78.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.328 . . . . 0.0 110.739 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.414 ' CE ' ' HB3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -74.03 -26.48 60.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.086 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.7 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.968 179.918 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 9' ' ' LEU . 2.9 mm? . . . . . 0 CA--C 1.515 -0.394 0 CA-C-O 121.447 0.642 . . . . 0.0 109.443 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.56 -36.85 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.38 179.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -73.4 -41.63 63.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.205 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.808 ' HB1' ' HB ' ' A' ' 42' ' ' VAL . . . -68.9 -45.51 70.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.664 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.692 ' O ' HD12 ' A' ' 17' ' ' ILE . 19.2 mttm -67.18 -51.58 51.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.668 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -49.1 -41.66 36.41 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.62 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -70.35 -33.21 71.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.48 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.65 ' HB2' HD13 ' A' ' 33' ' ' ILE . . . -53.99 -45.25 71.39 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.975 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.975 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.2 mp -73.11 -51.26 27.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.993 0.425 . . . . 0.0 110.61 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -53.33 -48.72 68.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.771 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.71 -43.44 85.22 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.712 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -65.34 -31.12 72.08 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 177.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.975 HG23 ' O ' ' A' ' 17' ' ' ILE . 26.1 t -73.96 -35.32 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.873 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -86.42 -18.78 30.89 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.62 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.78 -59.01 2.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.59 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.71 118.46 2.84 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.347 -0.93 . . . . 0.0 111.66 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.684 ' CG2' HG21 ' A' ' 49' ' ' ILE . 15.3 t -170.85 -166.88 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.319 0.58 . . . . 0.0 111.364 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.74 88.23 0.06 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.144 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.712 ' HA ' HD21 ' A' ' 20' ' ' LEU . 7.0 pt-20 -47.51 -29.19 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.929 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -46.89 -38.09 9.9 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.047 0.451 . . . . 0.0 110.477 179.672 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.61 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -60.0 -35.08 74.27 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.166 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.68 ' CG1' HD13 ' A' ' 20' ' ' LEU . 2.0 mm -68.86 -33.88 61.53 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.741 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 2.7 tptt -56.59 -31.14 63.97 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -38.78 58.93 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.757 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.851 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -58.46 -29.69 39.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-O 120.624 0.25 . . . . 0.0 111.294 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.489 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -41.66 -44.74 3.22 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.228 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.19 -30.72 11.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.089 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.51 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . 37.66 -93.02 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.059 179.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.2 pttt 163.67 -33.72 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.251 0.548 . . . . 0.0 109.684 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.716 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -168.3 -174.91 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.953 179.811 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.486 HG12 ' HE1' ' A' ' 43' ' ' TRP . 12.7 t -59.21 -50.41 79.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.011 0.434 . . . . 0.0 110.788 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -67.43 -35.98 80.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.893 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.698 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -56.44 -34.92 64.37 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.3 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.808 ' HB ' ' HB1' ' A' ' 12' ' ' ALA . 1.5 t -76.3 -47.99 29.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.995 0.426 . . . . 0.0 110.24 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.486 ' HE1' HG12 ' A' ' 39' ' ' VAL . 42.0 m95 -54.93 -28.76 53.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.458 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 48' ' ' GLU . 38.1 m -76.28 -54.5 6.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.433 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.851 ' CB ' HG22 ' A' ' 33' ' ' ILE . 4.5 mm? -47.3 -54.52 10.81 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.616 0.246 . . . . 0.0 111.439 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.734 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -60.5 -55.14 37.04 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.925 0.393 . . . . 0.0 110.521 179.654 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' HA ' ' CG ' ' A' ' 50' ' ' LYS . 6.9 t70 -58.2 -24.67 59.94 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.224 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -70.97 -30.5 66.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.481 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 46' ' ' LYS . 2.5 mt -76.65 -38.03 30.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.9 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -80.74 -40.73 24.74 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.644 -0.423 . . . . 0.0 111.104 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.92 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.541 ' HG ' HG12 ' A' ' 39' ' ' VAL . 1.2 mp . . . . . 0 CA--C 1.513 -0.479 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.407 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -43.94 -36.56 2.48 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.953 178.736 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -71.73 -48.1 49.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.829 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.434 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . . . -58.88 -49.54 77.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.668 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.707 ' O ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -65.09 -51.86 58.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.749 179.676 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.416 ' HG2' ' HD2' ' A' ' 13' ' ' LYS . 1.5 mm-40 -51.86 -41.98 62.28 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.796 0.331 . . . . 0.0 110.591 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.45 ' HA ' ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -61.1 -33.9 74.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.226 179.553 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -61.29 -44.32 97.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.102 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.946 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.2 mp -74.63 -51.12 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.294 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.45 ' HG2' ' HA ' ' A' ' 15' ' ' GLU . 6.0 pttt -55.94 -48.74 75.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.764 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.434 ' N ' ' CG ' ' A' ' 18' ' ' LYS . 5.5 mm-40 -57.74 -43.97 85.72 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.857 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -63.12 -36.85 84.96 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 177.521 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.946 HG23 ' O ' ' A' ' 17' ' ' ILE . 48.3 t -64.25 -35.31 73.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.907 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.71 -19.68 61.36 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.092 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.0 -81.37 0.53 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.703 0.287 . . . . 0.0 111.473 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.494 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 148.23 -75.96 0.26 Allowed Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.263 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.467 ' OG1' HG22 ' A' ' 49' ' ' ILE . 2.7 t 42.49 -167.48 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.104 0.478 . . . . 0.0 112.256 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HB1' ' CE ' ' A' ' 28' ' ' LYS . . . -78.03 94.28 4.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.734 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.857 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -52.92 -29.21 27.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.256 -179.625 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.462 ' CE ' ' HB1' ' A' ' 26' ' ' ALA . 1.4 pttp -45.29 -38.13 5.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.126 0.489 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.649 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -60.49 -41.34 94.05 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.057 179.29 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.777 HG12 HD13 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -62.05 -41.61 91.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -31.04 16.46 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.463 ' HB3' HD13 ' A' ' 45' ' ' LEU . 1.4 tp -75.67 -31.79 59.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.953 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.704 ' HA ' HD12 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -62.83 -29.87 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 120.798 0.333 . . . . 0.0 110.825 -179.799 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.442 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.63 -32.05 58.3 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.992 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.98 -2.91 33.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.067 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.649 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -35.71 -36.87 0.08 Allowed 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.469 ' O ' HD21 ' A' ' 9' ' ' LEU . 9.2 tmtt? 69.28 -66.35 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.47 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -84.77 142.99 29.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.693 -179.835 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.541 HG12 ' HG ' ' A' ' 9' ' ' LEU . 19.4 m -56.13 -46.31 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.18 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.484 ' N ' HG23 ' A' ' 39' ' ' VAL . 2.3 tm-20 -60.96 -44.5 97.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.403 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -57.09 -27.75 57.69 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.656 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.649 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -77.76 -50.16 20.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.873 0.368 . . . . 0.0 110.604 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.434 ' CZ2' ' HA ' ' A' ' 12' ' ' ALA . 93.4 m95 -57.8 -29.78 65.17 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.671 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.8 m -74.77 -49.35 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.163 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 33' ' ' ILE . 37.4 mt -52.77 -53.97 40.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.518 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.661 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.04 -55.6 30.81 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 110.951 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.2 -33.04 71.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.044 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -56.97 -43.51 81.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.428 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.661 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.0 OUTLIER -66.79 -35.19 74.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.281 179.443 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 17.2 mmtt -65.19 -32.26 73.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.483 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.3 m . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.939 179.71 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.911 HD11 ' O ' ' A' ' 37' ' ' LYS . 4.3 mm? . . . . . 0 CA--C 1.516 -0.345 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.7 -36.66 5.13 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.447 179.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -63.69 -42.64 97.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.272 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.42 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -78.06 -42.63 31.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.808 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -60.51 -48.73 80.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.8 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.69 -37.13 86.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.712 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.493 ' HA ' ' HG2' ' A' ' 18' ' ' LYS . 1.3 tt0 -73.73 -33.22 64.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.95 76.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.506 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.911 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.8 tp -67.15 -51.38 54.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.7 0.286 . . . . 0.0 111.421 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.493 ' HG2' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -61.1 -40.42 93.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.849 179.583 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -57.85 -45.37 86.35 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 178.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.839 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -61.81 -36.12 80.2 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 177.041 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 17' ' ' ILE . 39.9 t -69.59 -35.0 64.12 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.05 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -75.06 -28.09 60.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.151 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.75 -71.6 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.298 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.19 75.06 0.91 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.248 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.578 ' CG2' HG21 ' A' ' 49' ' ' ILE . 13.9 t -126.0 -171.04 2.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.036 0.446 . . . . 0.0 111.267 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.526 ' HB1' ' HD3' ' A' ' 28' ' ' LYS . . . -56.59 95.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.021 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.866 ' O ' HG22 ' A' ' 30' ' ' ILE . 6.9 pm0 -54.06 -29.54 44.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.209 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.526 ' HD3' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -43.53 -32.96 1.01 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.132 0.492 . . . . 0.0 110.35 179.47 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.57 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -73.02 -42.97 62.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.298 179.113 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.866 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -56.53 -31.92 35.32 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.072 0 CA-C-O 121.334 0.588 . . . . 0.0 109.467 178.772 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -31.6 68.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.335 178.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.28 -31.94 70.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.474 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.794 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -74.52 -29.82 24.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.288 -179.751 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.408 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -53.3 -26.06 17.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.813 0.339 . . . . 0.0 111.082 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.24 -2.75 17.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.798 ' HB3' HG22 ' A' ' 42' ' ' VAL . . . -40.64 -30.82 0.13 Allowed 'General case' 0 C--O 1.231 0.12 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.911 ' O ' HD11 ' A' ' 9' ' ' LEU . 1.1 mtmt 65.47 -73.83 0.06 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.777 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.641 ' O ' HG23 ' A' ' 42' ' ' VAL . 69.7 p -66.71 125.27 25.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.541 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 40' ' ' GLU . 10.9 m -48.16 -45.71 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.407 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.423 ' N ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -60.31 -53.1 61.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.351 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.517 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -53.64 -25.43 28.58 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.937 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.798 HG22 ' HB3' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -76.98 -52.12 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 0.0 110.831 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 85.9 m95 -55.9 -28.47 56.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.798 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' GLU . 3.5 m -76.1 -47.46 24.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.794 ' CB ' HG22 ' A' ' 33' ' ' ILE . 30.9 mt -52.7 -48.53 66.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.425 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.762 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -65.87 -55.64 15.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.066 0.46 . . . . 0.0 110.664 179.631 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.35 -24.72 65.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.065 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 44' ' ' THR . 23.1 tt0 -69.68 -39.41 77.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.99 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.762 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.7 mt -67.17 -38.67 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.602 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -31.01 72.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.827 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.2 mm? . . . . . 0 CA--C 1.515 -0.399 0 CA-C-O 121.49 0.662 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -46.37 -36.98 6.94 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.316 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -67.59 -39.6 84.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.307 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.881 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -76.97 -43.83 33.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.753 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.32 -49.42 76.16 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.493 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.49 -34.33 77.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.018 0.437 . . . . 0.0 110.411 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.436 ' HA ' ' HG2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -73.8 -33.17 64.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.713 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.57 -36.58 76.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.353 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.942 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.6 tp -72.66 -50.58 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.613 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.438 ' N ' HG23 ' A' ' 17' ' ' ILE . 2.4 ptpt -58.52 -38.27 77.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.705 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 5.0 mm-40 -63.6 -42.36 98.25 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 178.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.76 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -66.21 -36.29 82.66 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.239 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 17' ' ' ILE . 44.4 t -65.4 -35.1 74.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 114.975 -1.012 . . . . 0.0 110.115 178.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.64 -18.1 60.59 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.342 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.16 -86.4 0.38 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.643 0.259 . . . . 0.0 111.579 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.488 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 156.82 -70.66 0.26 Allowed Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.232 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.708 ' OG1' HG22 ' A' ' 49' ' ' ILE . 3.4 t 42.41 -166.08 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.914 0.388 . . . . 0.0 111.903 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.79 96.01 6.84 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.051 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.76 ' HA ' HD21 ' A' ' 20' ' ' LEU . 1.5 mt-10 -53.65 -29.49 38.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.054 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 1.2 mptt -45.93 -35.89 5.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.185 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.647 ' O ' HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -65.04 -37.68 88.38 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 109.979 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.716 ' CG1' HD13 ' A' ' 20' ' ' LEU . 3.3 mm -62.22 -31.78 52.63 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-O 121.315 0.579 . . . . 0.0 109.68 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 1.8 ttpt -65.09 -31.07 72.1 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 177.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.34 -33.09 49.35 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.921 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.819 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -70.71 -29.73 39.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.363 -179.571 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.451 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.86 -26.35 34.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.97 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.77 -3.27 39.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.754 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -51.76 133.7 31.19 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.805 0.336 . . . . 0.0 111.223 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -101.59 -36.56 8.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.431 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.86 134.66 41.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.388 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.459 HG23 ' N ' ' A' ' 40' ' ' GLU . 11.8 m -50.33 -48.72 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.266 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.459 ' N ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -58.67 -37.2 75.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.011 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.528 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -63.0 -28.81 72.67 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.708 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.754 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -80.56 -51.02 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.692 0.282 . . . . 0.0 110.947 -179.837 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.881 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.8 OUTLIER -58.64 -32.04 68.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.584 179.66 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.591 HG22 ' OE1' ' A' ' 48' ' ' GLU . 37.2 m -72.56 -45.63 58.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.945 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.819 ' CB ' HG22 ' A' ' 33' ' ' ILE . 12.7 mt -53.14 -49.63 66.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.486 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 6.4 pttp -65.45 -49.63 68.4 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.038 0.446 . . . . 0.0 110.537 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.51 -24.49 66.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.725 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.591 ' OE1' HG22 ' A' ' 44' ' ' THR . 4.9 mt-10 -73.62 -30.16 62.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.817 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.708 HG22 ' OG1' ' A' ' 25' ' ' THR . 0.2 OUTLIER -75.03 -38.39 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.347 . . . . 0.0 110.474 179.603 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -68.64 -27.38 65.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.798 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.8 mm? . . . . . 0 CA--C 1.513 -0.47 0 CA-C-O 121.473 0.654 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.27 -37.07 6.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.023 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -72.16 -38.42 69.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.281 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.793 ' HB1' ' HB ' ' A' ' 42' ' ' VAL . . . -73.06 -42.33 63.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.835 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.5 tttt -73.67 -48.82 29.38 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.702 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -56.67 -43.45 80.43 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.899 0.381 . . . . 0.0 110.466 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.73 -33.34 74.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.51 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.41 -37.95 76.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.84 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.98 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.3 mm -73.6 -51.42 25.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.437 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -53.63 -48.67 69.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.671 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -57.56 -42.72 83.57 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.919 HD13 HD11 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -66.37 -30.56 70.97 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 177.744 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.98 HG23 ' O ' ' A' ' 17' ' ' ILE . 23.2 t -74.72 -35.22 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.984 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -91.17 -17.82 25.47 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.604 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.88 -47.89 2.94 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.83 0.308 . . . . 0.0 111.83 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.42 98.3 0.19 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.111 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.513 ' OG1' HG22 ' A' ' 49' ' ' ILE . 5.1 t -146.64 -167.09 2.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.22 0.533 . . . . 0.0 111.326 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.502 ' HB3' ' CG2' ' A' ' 49' ' ' ILE . . . -60.01 88.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.888 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.719 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -53.0 -29.4 29.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.111 -179.773 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 4.3 mttt -44.69 -35.71 2.78 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.783 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -64.68 -38.52 91.29 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.602 -0.439 . . . . 0.0 109.931 179.601 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.919 HD11 HD13 ' A' ' 20' ' ' LEU . 2.8 mm -59.22 -32.06 47.43 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 8.1 tmtt? -64.74 -31.23 72.35 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 177.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.5 -35.34 34.81 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.485 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.811 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -73.86 -30.07 27.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.722 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.99 -25.45 21.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.948 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -102.15 -2.94 28.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.199 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.698 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -43.55 121.87 2.46 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.797 0.332 . . . . 0.0 111.646 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.84 26.22 5.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.583 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -162.38 133.53 5.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.491 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.599 HG12 ' NE1' ' A' ' 43' ' ' TRP . 8.9 t -54.22 -42.41 56.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.069 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.91 -42.05 81.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.634 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.58 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -57.21 -28.72 59.1 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.489 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.793 ' HB ' ' HB1' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -80.45 -45.25 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.695 0.283 . . . . 0.0 110.6 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.599 ' NE1' HG12 ' A' ' 39' ' ' VAL . 22.8 m95 -58.66 -34.04 70.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.549 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.497 HG22 ' HG3' ' A' ' 48' ' ' GLU . 9.5 m -74.28 -47.15 36.7 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.267 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.811 ' CB ' HG22 ' A' ' 33' ' ' ILE . 50.2 mt -50.64 -51.77 45.92 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.45 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.598 ' HA ' HD12 ' A' ' 49' ' ' ILE . 9.0 pttt -63.44 -48.34 78.14 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.117 0.484 . . . . 0.0 110.484 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 46' ' ' LYS . 1.2 t70 -64.11 -24.65 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.908 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.497 ' HG3' HG22 ' A' ' 44' ' ' THR . 1.7 mt-10 -71.16 -30.46 66.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.21 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.783 HD11 ' HB3' ' A' ' 29' ' ' TYR . 0.8 OUTLIER -78.84 -36.88 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.747 179.722 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -64.91 -29.81 70.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.941 0.401 . . . . 0.0 110.395 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.626 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.442 HD21 ' O ' ' A' ' 36' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.515 -0.366 0 CA-C-O 121.299 0.571 . . . . 0.0 109.468 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.49 -37.08 3.26 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.355 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -76.02 -38.82 56.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.456 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.468 ' HB1' ' HB ' ' A' ' 42' ' ' VAL . . . -72.43 -43.35 63.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.189 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -61.42 -49.28 77.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.821 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.86 -34.59 77.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.684 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -78.9 -35.79 42.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.77 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.6 -49.27 75.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.951 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.3 tp -69.9 -48.06 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.728 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.457 ' N ' HG23 ' A' ' 17' ' ' ILE . 47.6 tttp -54.43 -48.82 71.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.69 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -56.72 -44.41 81.59 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.784 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -63.82 -36.76 84.96 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.558 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.951 HG23 ' O ' ' A' ' 17' ' ' ILE . 41.1 t -65.27 -35.34 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.377 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.8 -20.26 63.46 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.95 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -132.41 -80.48 0.5 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.336 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.456 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 148.96 -75.5 0.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.382 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 24' ' ' GLY . 5.0 t 42.48 -165.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.871 0.367 . . . . 0.0 111.947 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.561 ' HB1' ' HD3' ' A' ' 28' ' ' LYS . . . -80.31 103.05 9.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.815 ' O ' HG22 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -57.7 -29.46 64.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.061 -179.848 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.561 ' HD3' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -43.82 -32.07 0.98 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.108 0.48 . . . . 0.0 110.29 179.533 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.583 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -73.19 -46.87 48.1 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.188 179.098 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.841 HD13 ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -59.45 -35.39 58.51 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-O 121.26 0.553 . . . . 0.0 109.535 179.028 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -31.41 72.57 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.714 178.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -32.41 72.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.579 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.769 HG22 ' HB2' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -72.34 -29.86 33.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.445 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -52.63 -27.47 17.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.116 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -98.75 -3.24 36.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.327 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.74 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -52.18 134.85 32.83 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.905 0.383 . . . . 0.0 111.275 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -102.96 -30.96 10.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.541 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.62 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -102.81 141.95 34.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.501 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 40' ' ' GLU . 15.4 m -54.6 -48.14 71.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.301 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.464 ' N ' HG23 ' A' ' 39' ' ' VAL . 2.4 tt0 -59.26 -47.65 84.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.999 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.458 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -53.84 -30.36 44.4 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.582 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.74 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -78.81 -54.89 11.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.954 0.407 . . . . 0.0 110.657 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.418 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 94.3 m95 -60.05 -27.35 66.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.7 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 48' ' ' GLU . 86.1 m -72.98 -47.14 47.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.769 ' HB2' HG22 ' A' ' 33' ' ' ILE . 87.3 mt -57.5 -52.3 65.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.318 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.687 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -60.45 -53.38 58.31 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.016 0.436 . . . . 0.0 110.655 179.7 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -63.11 -27.97 69.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.87 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' THR . 7.4 mt-10 -61.91 -35.32 78.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.564 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -77.23 -34.93 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.588 179.714 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -59.85 -44.95 93.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.824 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.0 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.891 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.486 ' CD1' HG21 ' A' ' 42' ' ' VAL . 3.8 mm? . . . . . 0 CA--C 1.515 -0.376 0 CA-C-O 121.443 0.639 . . . . 0.0 109.581 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.4 -37.1 2.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.816 -1.083 . . . . 0.0 110.528 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -71.42 -43.12 67.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.579 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.432 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -71.41 -43.54 66.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.937 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.439 ' O ' HG22 ' A' ' 17' ' ' ILE . 14.8 mttp -56.38 -42.13 77.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.004 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -68.58 -34.46 75.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.65 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.54 -35.54 53.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.808 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.614 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -60.73 -49.43 77.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.967 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.4 tp -65.29 -49.47 78.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.739 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.446 ' N ' HG23 ' A' ' 17' ' ' ILE . 2.0 tppt? -54.13 -48.7 70.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.549 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.18 -44.57 83.66 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.94 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -64.02 -32.37 73.9 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.622 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.967 HG23 ' O ' ' A' ' 17' ' ' ILE . 26.4 t -72.56 -35.53 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.017 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -85.56 -23.78 27.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.267 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.87 -58.78 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.319 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.08 51.2 3.24 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.217 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.786 ' CG2' HG21 ' A' ' 49' ' ' ILE . 14.7 t -103.38 -170.72 1.83 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.309 0.575 . . . . 0.0 111.211 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.88 100.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.314 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.94 ' HA ' HD21 ' A' ' 20' ' ' LEU . 13.8 pt-20 -56.19 -29.45 60.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.107 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -43.7 -32.64 1.04 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.314 0.578 . . . . 0.0 110.329 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.698 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -70.21 -44.41 68.69 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.566 179.386 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.908 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -60.42 -33.86 55.72 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 CA-C-O 121.109 0.48 . . . . 0.0 109.801 179.299 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -31.52 72.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.618 178.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.66 -31.71 65.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.483 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.614 HD13 ' CB ' ' A' ' 16' ' ' ALA . 0.7 OUTLIER -69.93 -29.73 41.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.244 -179.717 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.479 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -57.23 -29.53 63.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.938 0.399 . . . . 0.0 110.84 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.69 -2.88 22.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.15 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.672 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -33.82 -37.32 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 69.54 -65.98 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.706 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -80.1 138.64 36.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 179.823 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.8 t -54.88 -54.84 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.461 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -39.7 76.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.018 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.813 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.89 -29.75 65.3 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.65 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.672 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -76.41 -52.36 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.391 . . . . 0.0 110.993 -179.69 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 88.7 m95 -57.57 -33.4 68.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.325 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.412 HG22 ' C ' ' A' ' 41' ' ' GLY . 14.0 t -75.06 -33.08 61.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.456 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.813 ' HG ' ' O ' ' A' ' 41' ' ' GLY . 82.3 mt -64.22 -52.33 59.36 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.016 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.631 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -60.52 -47.84 84.4 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.225 0.536 . . . . 0.0 109.854 179.032 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.452 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 5.4 m-20 -65.47 -29.56 70.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.377 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.45 -37.35 75.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.176 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.786 HG21 ' CG2' ' A' ' 25' ' ' THR . 1.2 mt -74.76 -35.75 37.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.629 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -60.1 -50.69 72.69 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.781 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.045 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.514 -0.43 0 CA-C-O 121.403 0.62 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -44.81 -36.68 3.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.417 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -73.07 -40.74 64.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.242 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.611 ' HB1' ' HB ' ' A' ' 42' ' ' VAL . . . -71.59 -45.47 62.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.683 ' O ' HD12 ' A' ' 17' ' ' ILE . 5.0 mtpm? -69.18 -51.8 34.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.77 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -52.34 -42.26 63.74 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.054 0.454 . . . . 0.0 110.371 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.4 -33.07 70.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.355 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -52.57 -45.93 66.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.051 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.985 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.2 mp -74.86 -51.28 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-O 120.933 0.397 . . . . 0.0 110.726 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -49.04 68.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.685 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.401 ' HG3' ' HE2' ' A' ' 46' ' ' LYS . 5.5 mm-40 -58.29 -44.61 88.6 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.908 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -63.21 -31.1 72.17 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.49 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 17' ' ' ILE . 37.4 t -73.03 -35.32 48.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.839 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -90.36 -18.09 26.13 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.506 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.36 -48.69 3.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.688 0.28 . . . . 0.0 111.486 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.2 77.62 0.69 Allowed Glycine 0 C--O 1.226 -0.366 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.134 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.609 ' CG2' HG21 ' A' ' 49' ' ' ILE . 5.5 t -135.55 178.41 7.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.972 0.415 . . . . 0.0 111.051 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.586 ' HB1' ' HD3' ' A' ' 28' ' ' LYS . . . -46.88 95.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.551 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.908 ' HA ' HD21 ' A' ' 20' ' ' LEU . 2.1 mt-10 -54.18 -28.93 43.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.578 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.586 ' HD3' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -43.27 -35.32 1.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.164 0.506 . . . . 0.0 110.543 179.345 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.516 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -71.11 -43.01 68.5 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.334 179.029 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.897 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -60.69 -33.06 53.46 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.037 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.59 -31.48 72.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.773 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tp -69.32 -31.73 70.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.807 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.761 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -74.59 -29.86 24.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.06 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.425 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -51.62 -30.37 21.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.906 0.384 . . . . 0.0 111.244 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.58 -3.11 50.29 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.765 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -54.38 134.44 45.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.818 0.342 . . . . 0.0 111.262 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.32 -30.28 9.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.989 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.61 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -101.96 140.54 36.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.509 179.296 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 m -54.63 -43.27 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.261 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -47.93 82.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.031 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.431 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -55.18 -30.34 54.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.464 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.765 HG22 ' HB1' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -81.02 -50.34 17.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.892 0.377 . . . . 0.0 110.405 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.43 ' CZ2' ' HA ' ' A' ' 12' ' ' ALA . 83.0 m95 -61.06 -27.83 68.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.498 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.6 m -74.77 -47.15 32.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.231 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.761 ' CB ' HG22 ' A' ' 33' ' ' ILE . 48.9 mt -56.6 -52.28 65.45 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.232 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.745 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.44 -52.32 65.06 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.186 0.517 . . . . 0.0 110.528 179.526 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -63.6 -24.74 67.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.389 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.22 -29.07 64.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.199 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.2 mt -81.07 -34.76 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.194 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -28.99 61.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.918 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.0 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.9 179.95 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.64 HD11 ' O ' ' A' ' 37' ' ' LYS . 3.2 mm? . . . . . 0 CA--C 1.516 -0.354 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.29 -36.84 2.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.509 179.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -72.14 -42.25 66.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.432 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.933 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -70.41 -45.77 65.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.68 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.603 ' O ' HG22 ' A' ' 17' ' ' ILE . 4.8 mtmm -60.93 -36.14 78.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.495 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -73.85 -34.05 64.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.431 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -37.53 44.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.614 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.606 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -61.51 -48.77 79.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.708 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.972 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.4 tp -63.59 -49.95 80.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.85 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.447 ' N ' HG23 ' A' ' 17' ' ' ILE . 17.1 ttpt -51.89 -48.82 63.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -58.52 -43.16 89.06 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.0 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -66.11 -29.27 69.56 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.684 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.972 HG23 ' O ' ' A' ' 17' ' ' ILE . 30.1 t -74.6 -35.5 38.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.092 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -90.46 -18.11 25.95 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.604 0.24 . . . . 0.0 111.428 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.42 -56.08 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 111.401 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.555 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 109.57 -82.8 0.31 Allowed Glycine 0 C--O 1.225 -0.442 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.06 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.548 ' OG1' HG22 ' A' ' 49' ' ' ILE . 3.2 t 41.91 -166.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.477 ' HB1' ' CD ' ' A' ' 28' ' ' LYS . . . -74.79 106.1 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.625 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 1.0 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -61.52 -30.52 70.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.477 ' CD ' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -44.26 -32.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.079 0.466 . . . . 0.0 110.734 179.67 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.598 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -70.72 -41.87 71.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.424 179.459 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.911 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -57.57 -31.71 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.785 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.37 -31.58 71.05 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.266 178.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.02 -31.87 66.61 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.729 179.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.812 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -71.99 -29.72 34.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.351 -179.739 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.472 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.39 -30.56 52.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.022 0.439 . . . . 0.0 111.166 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.1 -3.0 26.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.172 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.753 ' HB3' HG22 ' A' ' 42' ' ' VAL . . . -38.52 -33.15 0.09 Allowed 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.64 ' O ' HD11 ' A' ' 9' ' ' LEU . 0.1 OUTLIER 66.82 -71.96 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.69 -179.843 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.601 ' O ' HG23 ' A' ' 42' ' ' VAL . 17.8 p -70.81 129.82 40.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.546 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 40' ' ' GLU . 8.9 m -50.56 -51.61 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.684 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -57.35 -46.71 83.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.203 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.818 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -56.75 -25.98 52.86 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.901 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.753 HG22 ' HB3' ' A' ' 36' ' ' ALA . 1.2 t -77.58 -50.16 20.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.825 0.345 . . . . 0.0 110.985 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.933 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.8 OUTLIER -56.73 -33.17 66.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.422 HG22 ' C ' ' A' ' 41' ' ' GLY . 5.8 t -75.22 -39.43 60.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.347 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.818 ' HG ' ' O ' ' A' ' 41' ' ' GLY . 63.9 mt -57.81 -51.55 69.11 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.141 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.666 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -62.36 -54.42 40.71 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.05 0.453 . . . . 0.0 110.42 179.445 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -27.89 69.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.884 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.462 ' OE1' HD23 ' A' ' 45' ' ' LEU . 7.0 mt-10 -61.53 -40.32 94.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.45 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.0 OUTLIER -70.86 -36.7 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.58 179.697 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -61.78 -29.89 70.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.5 mm? . . . . . 0 CA--C 1.516 -0.348 0 CA-C-O 121.374 0.607 . . . . 0.0 109.519 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.5 -37.2 2.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.486 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -71.22 -44.75 64.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.373 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.731 ' HB1' ' HB ' ' A' ' 42' ' ' VAL . . . -68.91 -44.38 73.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.044 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.69 ' O ' HD12 ' A' ' 17' ' ' ILE . 4.7 tttp -64.63 -51.7 61.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.537 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -50.02 -43.28 50.67 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.719 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.57 -33.21 72.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.517 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -53.48 -48.65 68.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.149 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.987 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.1 mp -72.06 -50.77 34.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.856 179.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -53.02 -48.87 67.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.111 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -58.88 -43.35 90.88 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.866 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -65.72 -32.6 74.25 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 177.766 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 17' ' ' ILE . 39.2 t -70.42 -35.41 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.363 179.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -71.81 -17.93 62.13 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.982 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.89 -77.81 0.45 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.861 0.363 . . . . 0.0 111.307 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.499 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 142.17 -71.32 0.41 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.05 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.569 ' OG1' HG22 ' A' ' 49' ' ' ILE . 4.2 t 41.69 -166.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.076 0.465 . . . . 0.0 112.169 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.25 96.97 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.859 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.945 ' O ' HG22 ' A' ' 30' ' ' ILE . 2.8 mt-10 -55.24 -29.13 57.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.918 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -44.57 -34.91 2.31 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.119 0.485 . . . . 0.0 110.732 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.595 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -70.55 -41.59 72.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.223 179.421 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.945 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -58.52 -31.98 44.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 109.506 -0.554 . . . . 0.0 109.506 179.04 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -69.46 -31.43 69.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.599 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.84 -31.78 69.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.691 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.783 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -75.3 -29.54 21.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.253 -179.602 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.408 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -37.9 -40.08 0.42 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 111.392 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -109.74 -30.72 7.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.247 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.736 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . 39.73 -112.89 0.14 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.923 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm 179.35 -40.23 0.01 OUTLIER 'General case' 0 C--O 1.231 0.106 0 CA-C-O 121.165 0.507 . . . . 0.0 110.078 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.67 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -146.69 -163.87 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.233 179.67 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -76.83 -54.92 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.909 0.385 . . . . 0.0 111.083 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -65.52 -30.47 71.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.506 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -59.4 -35.09 83.68 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.023 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.794 ' HA ' HD12 ' A' ' 45' ' ' LEU . 2.1 t -78.59 -46.46 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.534 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 89.6 m95 -60.01 -28.11 67.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.436 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.603 HG22 ' HG3' ' A' ' 48' ' ' GLU . 57.8 m -78.56 -35.77 45.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.116 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' A' ' 42' ' ' VAL . 8.3 mt -62.97 -51.66 66.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.068 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.689 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -64.98 -41.95 94.98 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.051 0.453 . . . . 0.0 110.359 179.362 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -71.93 -24.58 61.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.835 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.603 ' HG3' HG22 ' A' ' 44' ' ' THR . 0.2 OUTLIER -69.57 -31.47 69.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.743 -179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -81.6 -39.14 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.76 179.785 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -29.19 67.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.73 179.778 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.9 mm? . . . . . 0 CA--C 1.516 -0.348 0 CA-C-O 121.417 0.627 . . . . 0.0 109.377 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -46.61 -36.82 7.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.254 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -69.12 -39.39 78.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.164 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.9 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -73.7 -45.12 54.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.685 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -58.45 -51.16 71.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.655 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.31 -37.81 78.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.489 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.67 -33.98 74.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.446 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.511 ' HB2' HD13 ' A' ' 33' ' ' ILE . . . -60.26 -47.76 84.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.718 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.964 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.6 tp -73.18 -50.39 31.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.492 ' N ' HG23 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -55.35 -48.71 73.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.474 179.665 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -56.53 -43.58 79.99 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.761 HD13 ' CG1' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -64.93 -33.48 76.12 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 177.698 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.964 HG23 ' O ' ' A' ' 17' ' ' ILE . 34.6 t -70.82 -34.93 58.09 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.676 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.24 -24.11 27.95 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.364 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.428 ' HB3' ' NZ ' ' A' ' 50' ' ' LYS . . . -109.76 -75.61 0.62 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.804 0.335 . . . . 0.0 111.193 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.54 111.37 3.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.253 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.524 HG23 HG21 ' A' ' 49' ' ' ILE . 4.7 t -162.95 -167.44 1.51 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.934 0.397 . . . . 0.0 111.121 -179.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.13 84.7 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.101 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.675 ' HA ' HD21 ' A' ' 20' ' ' LEU . 5.1 pt-20 -48.62 -29.05 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.164 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 3.8 tptp -44.88 -41.26 6.97 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.706 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -62.19 -35.85 80.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.063 0.458 . . . . 0.0 109.766 179.382 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.761 ' CG1' HD13 ' A' ' 20' ' ' LEU . 3.0 mm -64.23 -31.98 55.61 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.689 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -63.84 -31.19 72.28 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.129 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tp -72.71 -32.86 66.06 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.76 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.793 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -70.12 -29.59 40.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.223 -179.694 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.457 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.45 -29.58 50.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.903 0.382 . . . . 0.0 111.044 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -96.86 -3.24 42.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.249 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.699 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -47.48 132.48 13.5 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.945 0.402 . . . . 0.0 111.312 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -115.68 29.57 7.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.475 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.674 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -162.43 134.86 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.628 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.0 m -54.27 -36.6 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.155 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.576 ' O ' HG23 ' A' ' 44' ' ' THR . 16.3 tp10 -75.31 -36.39 61.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.075 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.663 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -65.0 -28.35 73.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.562 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.699 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -83.11 -51.58 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.361 . . . . 0.0 110.682 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.9 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -58.28 -29.14 65.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.543 179.446 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 40' ' ' GLU . 24.8 p -77.33 -45.09 27.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.216 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.793 ' CB ' HG22 ' A' ' 33' ' ' ILE . 64.0 mt -54.92 -51.11 67.08 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.395 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.697 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.9 pttp -65.0 -51.23 62.82 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.999 0.428 . . . . 0.0 110.785 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -64.8 -24.65 67.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.014 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' THR . 12.5 mt-10 -68.12 -39.25 82.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.693 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.706 HD11 ' HB3' ' A' ' 29' ' ' TYR . 1.3 mt -69.62 -40.42 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.679 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.428 ' NZ ' ' HB3' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -66.74 -26.18 66.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.018 -179.883 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.0 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.785 179.858 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.53 HD23 ' HE3' ' A' ' 13' ' ' LYS . 1.7 mp . . . . . 0 CA--C 1.517 -0.317 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.92 -36.55 3.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.395 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -82.34 -39.29 23.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.262 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.701 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -64.75 -48.96 72.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.851 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.686 ' O ' HD12 ' A' ' 17' ' ' ILE . 17.3 mttt -69.3 -51.48 36.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.759 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -48.72 -37.76 19.65 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.538 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.404 ' OE1' ' CZ2' ' A' ' 43' ' ' TRP . 4.3 mt-10 -74.68 -33.15 62.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.504 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.539 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -54.36 -44.93 72.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.038 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.967 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.0 mp -75.86 -48.27 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.787 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -48.77 75.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.642 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.81 -44.52 90.83 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 178.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.917 HD13 HD11 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -61.9 -37.49 84.82 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.584 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.967 HG23 ' O ' ' A' ' 17' ' ' ILE . 49.7 t -62.65 -35.1 68.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.74 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -67.84 -23.25 65.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.884 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -130.4 -82.34 0.54 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.79 0.328 . . . . 0.0 111.268 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.484 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 150.79 -75.03 0.25 Allowed Glycine 0 CA--C 1.517 0.184 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.112 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.666 HG21 HG21 ' A' ' 49' ' ' ILE . 6.0 t 40.08 -163.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.163 0.506 . . . . 0.0 112.174 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.73 101.8 6.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.746 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -58.13 -29.2 65.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.756 179.714 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.28 -30.97 5.33 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.94 0.4 . . . . 0.0 110.31 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.712 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -61.42 -34.92 76.21 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.719 179.072 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.917 HD11 HD13 ' A' ' 20' ' ' LEU . 2.7 mm -70.58 -31.86 47.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.697 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -59.51 -30.97 68.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.335 178.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.06 -36.0 41.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.977 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.863 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -65.65 -29.53 47.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.444 -179.693 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.462 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -41.13 -43.22 2.21 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.907 0.384 . . . . 0.0 111.051 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -106.07 -30.7 9.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.061 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.571 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . 38.67 -94.57 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.084 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 164.44 -33.83 0.0 OUTLIER 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.078 0.466 . . . . 0.0 109.901 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.779 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -163.11 175.11 11.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.249 179.774 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 40' ' ' GLU . 16.3 m -54.75 -47.33 74.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.464 ' N ' HG23 ' A' ' 39' ' ' VAL . 33.3 tt0 -69.32 -40.38 77.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.602 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -54.84 -34.87 57.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.188 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 38' ' ' THR . 1.7 t -74.11 -49.97 30.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.95 0.405 . . . . 0.0 110.112 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.701 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -56.38 -29.83 61.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.143 179.101 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.3 m -69.27 -54.17 16.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.3 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.863 ' CB ' HG22 ' A' ' 33' ' ' ILE . 4.4 mm? -51.41 -54.39 27.14 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.648 0.261 . . . . 0.0 111.362 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.755 ' HA ' HD12 ' A' ' 49' ' ' ILE . 7.5 pttt -60.63 -55.16 36.62 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.853 0.359 . . . . 0.0 111.353 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.94 -32.93 73.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.879 0.371 . . . . 0.0 111.029 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -33.81 70.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.178 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 46' ' ' LYS . 2.0 mt -76.38 -32.73 22.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.587 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -69.18 -49.38 57.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.787 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.158 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 9' ' ' LEU . 3.9 mm? . . . . . 0 CA--C 1.516 -0.339 0 CA-C-O 121.361 0.6 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -36.98 4.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.287 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -66.26 -42.76 88.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.359 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.534 ' HB1' ' HB ' ' A' ' 42' ' ' VAL . . . -74.82 -42.99 56.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.878 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -62.89 -48.51 78.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.37 -45.35 93.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.31 -35.71 81.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.605 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -60.16 -42.47 94.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.987 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -77.46 -41.85 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.586 179.888 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.401 ' O ' ' HB ' ' A' ' 21' ' ' VAL . 34.4 tttm -63.2 -48.88 76.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.363 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -56.75 -45.61 81.92 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.748 HD13 HD11 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -59.37 -34.52 72.5 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.397 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 17' ' ' ILE . 60.2 t -67.05 -35.41 74.48 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.475 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.95 -22.43 27.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.415 ' HB2' ' HE2' ' A' ' 50' ' ' LYS . . . -100.68 -70.7 0.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.401 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.7 90.71 2.03 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.177 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.566 ' CG2' HG21 ' A' ' 49' ' ' ILE . 2.4 t -149.81 -171.21 3.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.955 0.407 . . . . 0.0 110.975 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.44 87.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.334 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.718 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.64 -28.86 6.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.052 179.754 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -43.66 -38.59 3.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.977 0.418 . . . . 0.0 111.08 179.774 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.601 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -59.93 -37.77 80.45 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.748 HD11 HD13 ' A' ' 20' ' ' LEU . 2.3 mm -63.98 -33.05 59.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.798 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 10.4 tptm -60.69 -31.24 70.5 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -31.64 61.58 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.534 178.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.611 HG22 ' HB2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -70.35 -29.53 39.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.676 -179.384 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.492 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.88 -33.14 61.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.954 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -99.69 -2.8 34.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.996 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.718 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -35.87 -35.4 0.06 Allowed 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 36' ' ' ALA . 6.7 mttm 66.68 -66.26 0.19 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.175 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.55 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -78.6 133.91 37.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.562 179.471 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.496 HG12 ' HE1' ' A' ' 43' ' ' TRP . 13.7 t -54.71 -49.81 65.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.493 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -47.4 82.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.179 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.574 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -55.46 -28.74 51.79 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.789 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.718 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -74.38 -49.66 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.719 -179.866 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.496 ' HE1' HG12 ' A' ' 39' ' ' VAL . 72.6 m95 -56.18 -28.78 59.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -75.09 -53.5 8.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.297 -179.717 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.611 ' HB2' HG22 ' A' ' 33' ' ' ILE . 91.4 mt -48.14 -49.12 33.39 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.332 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.583 ' HA ' HD12 ' A' ' 49' ' ' ILE . 6.6 ttmt -63.06 -55.55 24.53 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.164 0.507 . . . . 0.0 110.298 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -24.57 65.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.206 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 44' ' ' THR . 3.8 tm-20 -66.65 -46.71 74.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.765 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.601 HD11 ' HB3' ' A' ' 29' ' ' TYR . 1.1 mt -63.69 -43.23 98.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.725 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -60.46 -26.35 66.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.131 -179.797 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.6 p . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.197 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 CA--C 1.516 -0.358 0 CA-C-O 121.415 0.626 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.52 -36.91 4.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.487 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -71.29 -38.89 71.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.328 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.955 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -74.39 -44.12 53.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.869 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -56.84 -51.29 69.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.83 -34.72 79.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.634 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.93 -43.79 82.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.71 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.522 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -59.2 -40.82 86.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 1.018 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -77.77 -42.34 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.558 179.679 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' HB ' ' A' ' 21' ' ' VAL . 16.9 ttpp -61.74 -48.72 79.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.394 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.78 -45.3 90.11 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.715 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -60.56 -35.29 75.69 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.673 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 1.018 HG23 ' O ' ' A' ' 17' ' ' ILE . 64.0 t -63.15 -35.33 71.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.868 178.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.23 -22.73 64.77 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.012 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -132.41 -83.28 0.49 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.548 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.587 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 151.77 -78.3 0.21 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.025 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.548 ' CG2' HG21 ' A' ' 49' ' ' ILE . 0.9 OUTLIER 42.75 -174.37 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.289 0.566 . . . . 0.0 112.224 179.289 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.46 97.63 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.151 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.715 ' HA ' HD21 ' A' ' 20' ' ' LEU . 14.4 tt0 -56.76 -29.3 62.47 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.668 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -46.15 -38.22 7.94 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.006 0.432 . . . . 0.0 111.125 179.824 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.561 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -57.61 -36.66 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.174 0.511 . . . . 0.0 109.863 179.122 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.71 HD11 HD13 ' A' ' 20' ' ' LEU . 2.5 mm -65.63 -39.84 86.18 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.547 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 11.0 tptm -51.53 -30.99 22.42 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.34 -31.88 60.71 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.81 178.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.676 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -63.47 -29.86 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.033 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.481 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -57.43 -35.94 70.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 110.765 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.8 -2.81 57.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.121 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.643 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -40.12 -31.73 0.14 Allowed 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.51 -70.49 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.918 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.425 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 76.0 p -79.63 -179.46 6.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.359 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 40' ' ' GLU . 34.8 m -88.79 -46.29 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 111.392 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.495 ' N ' HG23 ' A' ' 39' ' ' VAL . 1.4 mt-10 -58.4 -45.82 87.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.281 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.88 -28.01 57.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.965 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.643 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -76.77 -52.88 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.324 . . . . 0.0 110.825 -179.859 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.955 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -56.68 -29.29 62.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.747 179.719 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.431 HG22 ' HG3' ' A' ' 48' ' ' GLU . 23.1 m -73.61 -48.96 28.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.249 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 33' ' ' ILE . 70.0 mt -53.89 -52.14 61.47 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.489 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.725 ' HA ' HD12 ' A' ' 49' ' ' ILE . 4.0 pttp -61.41 -53.2 59.61 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.891 0.377 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.69 -30.27 71.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.431 ' HG3' HG22 ' A' ' 44' ' ' THR . 1.5 mm-40 -61.51 -34.53 75.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.452 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.4 mt -76.46 -33.77 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.708 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -66.65 -40.81 88.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.1 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.977 -179.912 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.9 mm? . . . . . 0 CA--C 1.516 -0.352 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.7 -36.56 3.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.959 178.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -74.32 -42.13 59.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.146 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.919 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -64.67 -46.24 83.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.637 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -63.32 -40.98 98.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.507 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -70.13 -34.11 72.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.132 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.408 ' OE1' ' CZ2' ' A' ' 43' ' ' TRP . 25.1 tt0 -76.95 -35.2 57.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.45 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.5 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -60.19 -49.32 78.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.617 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.898 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.7 tp -67.09 -47.47 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.11 0.481 . . . . 0.0 110.571 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.449 ' N ' HG23 ' A' ' 17' ' ' ILE . 8.8 ttmm -54.08 -48.7 70.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.705 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -58.26 -44.46 88.38 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.823 HD13 ' CD1' ' A' ' 30' ' ' ILE . 0.4 OUTLIER -61.66 -38.08 86.42 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.528 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 17' ' ' ILE . 44.3 t -62.53 -35.19 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.196 179.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -70.87 -20.2 62.55 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.03 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.89 -83.86 0.55 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.504 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 153.62 -79.97 0.19 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.293 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.608 HG21 HG21 ' A' ' 49' ' ' ILE . 5.8 t 40.33 -163.6 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.74 109.51 14.22 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.553 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.674 ' HA ' HD21 ' A' ' 20' ' ' LEU . 2.1 pp20? -63.0 -28.6 70.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.233 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -47.23 -28.81 2.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.047 0.451 . . . . 0.0 110.184 179.239 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.615 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -62.63 -36.53 83.1 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.864 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.823 ' CD1' HD13 ' A' ' 20' ' ' LEU . 1.1 mp -62.96 -40.76 90.19 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 177.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -53.71 -31.04 46.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.443 178.321 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.92 -31.99 45.46 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.061 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.772 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -75.26 -29.8 21.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.522 -179.42 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.438 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -55.12 -29.29 57.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 110.939 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -105.84 -2.79 22.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.158 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.651 ' HB3' HG22 ' A' ' 42' ' ' VAL . . . -37.63 -33.37 0.07 Allowed 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? 67.04 -70.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.807 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -73.47 137.37 44.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.579 179.652 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 40' ' ' GLU . 18.1 m -53.62 -46.66 61.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.508 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.469 ' N ' HG23 ' A' ' 39' ' ' VAL . 1.8 tt0 -60.85 -45.46 94.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.122 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.536 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -57.28 -24.84 53.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.817 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.651 HG22 ' HB3' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -83.32 -53.11 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.916 0.389 . . . . 0.0 110.785 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.919 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.8 OUTLIER -58.95 -31.76 69.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.798 179.851 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' GLU . 15.1 t -76.14 -40.58 52.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.26 -179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.772 ' CB ' HG22 ' A' ' 33' ' ' ILE . 30.0 mt -56.81 -52.2 65.97 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.84 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.725 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.96 -52.67 63.1 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.925 0.393 . . . . 0.0 110.695 179.578 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.38 -31.18 71.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.711 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' THR . 14.1 tt0 -59.02 -35.24 72.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.178 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 46' ' ' LYS . 2.1 mt -74.79 -35.63 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.517 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -70.17 -43.07 71.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 CA--C 1.516 -0.346 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -45.12 -36.69 3.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.359 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.84 -44.96 72.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.099 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.418 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . . . -67.76 -46.16 72.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.573 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -62.16 -51.4 67.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.561 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -62.42 -36.49 82.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.414 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.8 -33.3 66.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.438 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.429 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -58.59 -49.33 77.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.685 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.961 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.6 tp -64.36 -46.14 93.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.181 0.515 . . . . 0.0 110.357 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.407 ' N ' HG23 ' A' ' 17' ' ' ILE . 0.6 OUTLIER -55.69 -48.69 74.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.503 179.519 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.89 -44.92 78.65 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.841 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -62.91 -34.2 76.93 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 177.417 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.961 HG23 ' O ' ' A' ' 17' ' ' ILE . 38.3 t -70.79 -35.27 59.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.767 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.34 -26.43 55.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.246 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.77 -79.24 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 111.295 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.19 59.02 0.3 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.315 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.684 ' CG2' HG21 ' A' ' 49' ' ' ILE . 13.9 t -107.48 175.99 5.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.948 0.404 . . . . 0.0 111.016 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.62 99.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.398 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.892 ' O ' HG22 ' A' ' 30' ' ' ILE . 3.7 mt-10 -54.02 -29.24 42.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.38 -34.19 1.21 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.134 0.492 . . . . 0.0 110.338 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.532 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -72.52 -43.76 63.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.241 179.232 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.892 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -60.1 -32.75 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.129 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -66.88 -32.13 73.19 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.592 178.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.51 -31.64 72.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.565 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.775 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -76.11 -29.49 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.354 -179.767 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.457 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -36.77 -44.56 0.49 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.961 0.41 . . . . 0.0 111.525 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.11 -30.78 8.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.305 179.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.732 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . 40.29 -113.86 0.17 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.85 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.2 tttt 178.26 -39.59 0.01 OUTLIER 'General case' 0 C--O 1.23 0.073 0 CA-C-O 121.071 0.463 . . . . 0.0 110.09 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.778 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -149.08 171.63 16.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.31 179.795 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -54.93 -54.79 20.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.269 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.06 -41.47 99.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.804 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -53.12 -33.33 44.8 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.537 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 38' ' ' THR . 2.1 t -78.47 -50.63 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.874 0.369 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.418 ' CE2' ' HB2' ' A' ' 12' ' ' ALA . 92.7 m95 -57.11 -33.91 67.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.451 HG22 ' O ' ' A' ' 41' ' ' GLY . 14.8 t -74.97 -35.03 62.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.804 ' HG ' ' O ' ' A' ' 41' ' ' GLY . 83.3 mt -60.44 -53.04 62.29 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.122 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.71 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.85 -51.4 68.38 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.951 0.405 . . . . 0.0 110.334 179.32 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -62.86 -29.41 70.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.656 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 44' ' ' THR . 6.5 mt-10 -60.1 -37.49 80.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.301 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.3 mt -73.95 -34.71 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.615 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -63.41 -31.63 72.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.244 -179.754 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 31.6 p . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.909 0.385 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.5 p -144.88 -46.73 0.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -66.13 -28.79 69.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.63 174.78 5.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.943 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -178.96 113.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.113 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.517 HG23 HG13 ' A' ' 39' ' ' VAL . 3.9 mt -79.82 123.43 36.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.716 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -108.83 -28.0 9.43 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.617 0.246 . . . . 0.0 111.574 -179.543 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.622 ' H ' HD22 ' A' ' 7' ' ' LEU . 2.9 t-20 176.51 123.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.857 0.361 . . . . 0.0 111.575 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.455 HD21 HG21 ' A' ' 6' ' ' ILE . 4.2 mm? -87.97 -42.72 12.26 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.505 0.669 . . . . 0.0 109.226 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -45.22 -36.75 4.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.33 179.164 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -72.83 -40.95 65.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.221 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.687 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -67.72 -46.2 72.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.738 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.68 ' O ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -68.85 -51.51 39.63 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.151 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -49.46 -37.06 24.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.943 0.401 . . . . 0.0 110.594 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -70.7 -33.11 70.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.273 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -56.41 -43.48 79.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.879 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.993 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.2 mp -71.7 -51.21 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.432 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -48.74 71.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.617 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -57.27 -44.09 83.63 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.865 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -64.49 -31.67 72.98 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 177.572 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.993 HG23 ' O ' ' A' ' 17' ' ' ILE . 29.9 t -73.5 -35.2 44.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.693 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -86.0 -26.47 25.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.832 0.348 . . . . 0.0 111.217 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.56 -60.33 1.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.264 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.8 68.12 1.3 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.327 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.537 ' CG2' HG21 ' A' ' 49' ' ' ILE . 12.9 t -121.83 -170.94 2.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.122 0.487 . . . . 0.0 111.378 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.34 99.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.168 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.939 ' O ' HG22 ' A' ' 30' ' ' ILE . 1.0 OUTLIER -56.32 -28.93 60.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.988 -179.713 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.02 -34.68 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.129 0.49 . . . . 0.0 110.337 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.562 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -72.33 -41.03 66.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.382 179.193 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.939 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -60.11 -32.11 49.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.336 0.588 . . . . 0.0 109.43 178.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -68.65 -31.6 70.85 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.537 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.68 -31.99 72.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.612 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.782 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -74.77 -29.79 23.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.042 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.427 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -51.3 -27.66 10.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.065 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.49 -13.72 25.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.276 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.749 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -46.83 132.85 11.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.421 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -104.61 -31.23 9.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.684 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.658 ' O ' HG23 ' A' ' 42' ' ' VAL . 3.0 p -96.35 138.51 33.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.707 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.517 HG13 HG23 ' A' ' 6' ' ' ILE . 16.2 m -55.83 -40.43 61.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.296 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.35 -42.52 79.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.496 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.25 -30.03 63.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.458 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.749 HG22 ' HB1' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -80.39 -50.68 17.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.765 0.317 . . . . 0.0 110.486 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.687 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -58.07 -31.99 67.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.135 0.493 . . . . 0.0 110.486 179.377 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.3 m -73.48 -42.01 62.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.287 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.782 ' CB ' HG22 ' A' ' 33' ' ' ILE . 9.6 mt -57.74 -50.89 71.73 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.311 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.704 ' HA ' HD12 ' A' ' 49' ' ' ILE . 2.1 pttp -61.57 -51.85 66.87 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.015 0.436 . . . . 0.0 110.726 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -64.15 -32.42 73.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.711 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -57.9 -34.7 70.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.39 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.2 mt -77.26 -33.93 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.387 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -57.3 -32.67 66.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.641 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.28 -21.92 18.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.907 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 67.16 22.54 9.77 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.0 p 51.86 -169.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.135 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.533 ' O ' HG23 ' A' ' 54' ' ' VAL . 15.4 m -154.6 96.87 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.3 m 61.7 82.55 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.777 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.152 -0.928 . . . . 0.0 110.956 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.866 0.365 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.4 t -69.91 -30.14 67.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -100.78 164.9 11.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 ptpp? -125.72 -170.13 2.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.89 -177.4 4.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.143 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mt -69.97 110.38 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.115 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.59 ' HB2' HG21 ' A' ' 39' ' ' VAL . 3.0 mm? -73.93 -79.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.961 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -166.69 99.9 0.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.861 0.362 . . . . 0.0 110.832 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 9' ' ' LEU . 3.7 mm? -87.95 -45.58 10.11 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.447 0.641 . . . . 0.0 109.302 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.25 -36.4 2.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.509 179.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -78.32 -39.9 38.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.141 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.832 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -65.61 -48.18 73.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.728 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.69 ' O ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -68.27 -43.66 77.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.655 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -51.17 -39.63 56.8 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.489 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -33.2 65.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.445 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.56 -47.39 70.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.182 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 1.0 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.1 mp -74.16 -51.42 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.728 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.26 -49.02 67.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.81 -43.85 90.67 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.978 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -64.49 -31.04 72.09 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.687 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.0 HG23 ' O ' ' A' ' 17' ' ' ILE . 25.2 t -74.16 -35.51 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.982 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.94 -18.08 60.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.3 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.66 -71.35 0.62 Allowed 'General case' 0 C--O 1.238 0.46 0 CA-C-O 120.992 0.425 . . . . 0.0 111.334 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.577 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 136.92 -87.77 0.22 Allowed Glycine 0 N--CA 1.452 -0.267 0 N-CA-C 111.611 -0.596 . . . . 0.0 111.611 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.513 ' CG2' HG21 ' A' ' 49' ' ' ILE . 0.6 OUTLIER 46.93 179.18 0.01 OUTLIER 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 179.242 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.69 107.67 1.01 Allowed 'General case' 0 C--O 1.222 -0.368 0 CA-C-O 121.21 0.529 . . . . 0.0 110.682 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.978 ' HA ' HD21 ' A' ' 20' ' ' LEU . 3.5 mt-10 -64.8 -29.36 70.32 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.868 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -42.32 -34.8 0.85 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.074 0.464 . . . . 0.0 110.476 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.493 ' CG ' HG12 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -67.75 -43.69 79.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.498 179.422 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.9 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -56.22 -31.92 33.42 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.086 0 CA-C-O 121.327 0.584 . . . . 0.0 109.476 178.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -31.39 71.47 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.298 178.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -31.81 69.09 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.811 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.779 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -73.8 -29.7 26.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.365 -179.568 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.414 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -50.84 -27.15 6.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 111.243 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -109.46 -2.8 17.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.262 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.623 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -35.8 -37.21 0.09 Allowed 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 36' ' ' ALA . 1.1 mmmm 66.19 -66.37 0.17 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.836 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.554 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.3 p -72.6 133.95 44.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.6 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.59 HG21 ' HB2' ' A' ' 7' ' ' LEU . 21.2 t -54.9 -52.47 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.564 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 44' ' ' THR . 1.7 tp10 -59.15 -39.41 82.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.193 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.539 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -61.76 -27.53 68.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.828 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.623 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.4 OUTLIER -79.34 -50.6 17.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.86 0.362 . . . . 0.0 110.764 -179.805 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.832 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -54.5 -32.79 58.66 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.4 179.543 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 40' ' ' GLU . 82.1 p -73.54 -51.37 17.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.166 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.779 ' CB ' HG22 ' A' ' 33' ' ' ILE . 19.3 mt -47.62 -51.36 21.59 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.692 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.727 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -63.65 -46.47 85.48 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.174 0.512 . . . . 0.0 110.516 179.592 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -67.85 -24.58 65.28 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.344 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' THR . 2.1 tt0 -71.68 -31.13 66.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.988 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.1 mt -78.63 -37.46 20.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.872 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -26.4 60.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.99 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.7 p -99.32 -38.1 8.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.898 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.6 t80 58.85 23.96 11.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.217 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.474 ' O ' HG23 ' A' ' 53' ' ' THR . 5.1 t -74.73 104.15 5.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.5 p -175.8 137.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.8 t -59.9 171.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.815 -179.933 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.81 0.338 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -95.4 142.86 27.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.71 88.46 2.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.842 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm 52.75 25.5 3.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.343 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.89 172.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.149 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.566 ' O ' HD12 ' A' ' 7' ' ' LEU . 4.0 mt -76.56 117.04 20.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.566 HD12 ' O ' ' A' ' 6' ' ' ILE . 2.8 mp -158.29 -41.85 0.06 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.326 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -131.86 110.9 11.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.454 HD12 HG21 ' A' ' 42' ' ' VAL . 4.6 mm? -87.57 -40.31 14.36 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.16 -36.64 3.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.265 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -65.92 -47.4 74.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.116 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -67.23 -45.33 77.09 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.62 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -60.99 -51.48 69.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.554 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -62.33 -33.3 74.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.453 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -76.52 -33.3 58.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.032 0.444 . . . . 0.0 110.347 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.776 ' HB1' HD11 ' A' ' 30' ' ' ILE . . . -58.75 -43.41 90.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.859 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.958 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.2 mm -72.23 -49.62 41.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.235 0.54 . . . . 0.0 110.352 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -54.12 -48.71 70.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.608 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -44.0 82.53 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.898 HD13 HG12 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -64.7 -33.16 75.3 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.7 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 17' ' ' ILE . 34.6 t -71.43 -35.22 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.705 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.73 -17.9 62.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.74 -77.22 0.51 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.429 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.539 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 144.97 -83.0 0.2 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.175 -179.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.462 ' CG2' HG21 ' A' ' 49' ' ' ILE . 0.6 OUTLIER 46.92 179.26 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.007 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.527 ' HB1' ' CD ' ' A' ' 28' ' ' LYS . . . -66.97 97.36 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.002 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.872 ' HA ' HD21 ' A' ' 20' ' ' LEU . 1.7 pt-20 -54.54 -28.72 47.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.329 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.527 ' CD ' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -42.34 -45.24 4.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.949 0.404 . . . . 0.0 110.751 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.441 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -63.09 -41.34 99.38 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.218 0.532 . . . . 0.0 109.721 178.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.898 HG12 HD13 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -54.5 -43.18 62.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.574 178.693 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.49 -31.35 67.77 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.715 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -33.61 75.92 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.351 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.724 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -73.99 -29.95 26.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.414 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -50.68 -26.26 5.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.529 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -99.88 -3.16 33.09 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 111.491 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.819 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -54.04 134.26 43.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.859 0.362 . . . . 0.0 111.306 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.5 ' HG2' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -102.14 -28.49 12.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.065 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 42' ' ' VAL . 36.4 p -110.45 143.56 40.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.751 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 40' ' ' GLU . 21.4 m -53.16 -45.69 54.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.334 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.478 ' N ' HG23 ' A' ' 39' ' ' VAL . 1.1 tt0 -55.89 -52.78 62.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.334 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.81 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -55.18 -28.15 48.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.733 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.819 HG22 ' HB1' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -84.33 -45.98 17.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.894 0.378 . . . . 0.0 110.692 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.439 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 79.8 m95 -63.42 -30.56 71.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.772 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.0 t -78.72 -40.74 32.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.285 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.81 ' HG ' ' O ' ' A' ' 41' ' ' GLY . 61.9 mt -58.59 -51.86 68.13 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.068 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.732 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -64.54 -44.57 90.4 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.948 0.404 . . . . 0.0 110.661 179.691 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -69.16 -24.74 64.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.139 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -71.99 -32.96 67.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.732 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.4 mt -77.97 -38.62 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.987 0.423 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -75.89 -29.23 58.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.615 ' CG2' HG23 ' A' ' 53' ' ' THR . 7.1 m -96.02 -26.45 15.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 64.15 23.36 13.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.158 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.615 HG23 ' CG2' ' A' ' 51' ' ' THR . 73.2 p -60.09 147.28 40.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.2 p -107.42 -31.21 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 t -133.26 166.33 22.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.959 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 2' ' ' THR . 9.7 t . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.775 0.321 . . . . 0.0 111.385 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.425 ' N ' HG23 ' A' ' 1' ' ' THR . 0.2 OUTLIER -114.44 97.25 6.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.96 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.09 -47.55 2.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.602 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -141.7 -173.84 3.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.653 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.62 117.37 0.2 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.364 -179.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.2 mt -131.15 98.29 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.743 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.772 HD13 ' O ' ' A' ' 7' ' ' LEU . 3.0 tm? -116.67 -35.25 4.26 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.185 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -155.72 121.19 4.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.021 0.438 . . . . 0.0 111.472 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -87.74 -39.1 15.22 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -44.4 -36.86 3.06 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.05 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -61.07 -47.52 85.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.711 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.805 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -68.15 -45.06 74.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.258 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HA ' ' CD1' ' A' ' 33' ' ' ILE . 9.6 mttt -56.86 -48.93 76.95 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.703 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.53 -34.15 68.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.576 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -71.75 -43.0 66.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.638 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.39 -49.24 67.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.972 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.2 tp -63.5 -49.08 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' N ' HG23 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -55.03 -48.89 72.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.792 179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.414 ' HB3' ' CE ' ' A' ' 50' ' ' LYS . 9.8 mm-40 -57.59 -43.85 84.94 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.895 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -63.94 -33.57 76.01 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.543 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.972 HG23 ' O ' ' A' ' 17' ' ' ILE . 38.9 t -70.5 -35.31 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.487 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -72.71 -23.22 60.83 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.87 -76.08 0.58 Allowed 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.33 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.492 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 141.36 -73.9 0.37 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.149 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.552 ' OG1' HG22 ' A' ' 49' ' ' ILE . 4.9 t 42.0 -165.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.67 103.12 8.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.632 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.908 ' O ' HG22 ' A' ' 30' ' ' ILE . 2.3 mt-10 -56.59 -31.03 63.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.229 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.31 -35.28 1.44 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.211 0.529 . . . . 0.0 110.784 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.49 ' CG ' HG12 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -69.66 -42.77 73.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.328 179.534 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.908 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -56.29 -31.83 33.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -68.83 -31.64 70.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.28 178.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.83 -32.01 72.26 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.716 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.775 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -75.93 -29.86 20.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 -179.724 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.424 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -53.33 -25.19 14.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.139 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.63 -3.09 33.92 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.407 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.709 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -52.92 134.85 37.31 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.914 0.387 . . . . 0.0 111.114 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.52 -30.6 11.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.592 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.565 ' O ' HG23 ' A' ' 42' ' ' VAL . 31.8 p -99.98 140.34 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.455 HG13 ' HZ3' ' A' ' 43' ' ' TRP . 49.0 t -56.07 -48.36 79.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.96 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.82 ' O ' HG23 ' A' ' 44' ' ' THR . 0.3 OUTLIER -62.86 -41.03 99.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.824 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.718 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -56.53 -30.95 59.64 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.595 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.709 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -77.92 -51.55 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.818 0.342 . . . . 0.0 110.832 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.805 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -57.39 -37.6 72.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.747 179.703 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.82 HG23 ' O ' ' A' ' 40' ' ' GLU . 50.7 p -67.88 -42.88 80.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.204 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.775 ' CB ' HG22 ' A' ' 33' ' ' ILE . 75.9 mt -55.37 -49.61 71.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.622 0.248 . . . . 0.0 111.152 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.733 ' HA ' HD12 ' A' ' 49' ' ' ILE . 6.2 pttp -66.68 -50.4 62.99 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.246 0.546 . . . . 0.0 110.68 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.92 -24.64 67.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.011 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' THR . 47.6 tt0 -70.63 -38.82 73.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.733 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.3 mt -69.04 -38.57 78.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.328 . . . . 0.0 110.739 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' CE ' ' HB3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -74.03 -26.48 60.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.086 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.7 p -84.96 -28.96 25.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.968 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -176.35 179.4 1.22 Allowed 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.5 p -132.16 63.25 1.62 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.89 0.376 . . . . 0.0 110.806 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.0 m -61.47 126.71 19.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.8 p -142.14 119.88 11.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.906 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 3' ' ' TYR . 1.3 p . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.873 0.368 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 63.8 p 52.76 -85.77 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.328 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 1' ' ' THR . 0.9 OUTLIER -162.09 -50.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.982 0.42 . . . . 0.0 111.024 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.23 -179.46 5.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.815 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -176.52 93.94 0.05 OUTLIER 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.861 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.542 HG21 ' HB2' ' A' ' 10' ' ' LYS . 4.4 mt -93.59 114.9 31.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.5 mp -91.6 -59.3 2.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -159.73 29.48 0.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 9' ' ' LEU . 2.9 mm? -87.92 -44.45 11.03 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.447 0.642 . . . . 0.0 109.443 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.542 ' HB2' HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -44.56 -36.85 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.38 179.04 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -73.4 -41.63 63.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.205 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.808 ' HB1' ' HB ' ' A' ' 42' ' ' VAL . . . -68.9 -45.51 70.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.664 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.692 ' O ' HD12 ' A' ' 17' ' ' ILE . 19.2 mttm -67.18 -51.58 51.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.668 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -49.1 -41.66 36.41 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.62 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -70.35 -33.21 71.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.48 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.65 ' HB2' HD13 ' A' ' 33' ' ' ILE . . . -53.99 -45.25 71.39 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.975 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.975 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.2 mp -73.11 -51.26 27.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.993 0.425 . . . . 0.0 110.61 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -53.33 -48.72 68.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.771 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.71 -43.44 85.22 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.712 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -65.34 -31.12 72.08 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 177.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.975 HG23 ' O ' ' A' ' 17' ' ' ILE . 26.1 t -73.96 -35.32 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.873 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -86.42 -18.78 30.89 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.62 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.78 -59.01 2.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.59 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.71 118.46 2.84 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.347 -0.93 . . . . 0.0 111.66 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.684 ' CG2' HG21 ' A' ' 49' ' ' ILE . 15.3 t -170.85 -166.88 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.319 0.58 . . . . 0.0 111.364 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.74 88.23 0.06 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.144 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.712 ' HA ' HD21 ' A' ' 20' ' ' LEU . 7.0 pt-20 -47.51 -29.19 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.929 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -46.89 -38.09 9.9 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.047 0.451 . . . . 0.0 110.477 179.672 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.61 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -60.0 -35.08 74.27 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.166 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.68 ' CG1' HD13 ' A' ' 20' ' ' LEU . 2.0 mm -68.86 -33.88 61.53 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.741 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 2.7 tptt -56.59 -31.14 63.97 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -38.78 58.93 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.757 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.851 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -58.46 -29.69 39.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-O 120.624 0.25 . . . . 0.0 111.294 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.489 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -41.66 -44.74 3.22 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.228 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.19 -30.72 11.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.089 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.51 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . 37.66 -93.02 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.059 179.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.2 pttt 163.67 -33.72 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.251 0.548 . . . . 0.0 109.684 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.716 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -168.3 -174.91 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.953 179.811 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.486 HG12 ' HE1' ' A' ' 43' ' ' TRP . 12.7 t -59.21 -50.41 79.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.011 0.434 . . . . 0.0 110.788 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -67.43 -35.98 80.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.893 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.698 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -56.44 -34.92 64.37 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.3 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.808 ' HB ' ' HB1' ' A' ' 12' ' ' ALA . 1.5 t -76.3 -47.99 29.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.995 0.426 . . . . 0.0 110.24 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.486 ' HE1' HG12 ' A' ' 39' ' ' VAL . 42.0 m95 -54.93 -28.76 53.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.458 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 48' ' ' GLU . 38.1 m -76.28 -54.5 6.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.433 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.851 ' CB ' HG22 ' A' ' 33' ' ' ILE . 4.5 mm? -47.3 -54.52 10.81 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.616 0.246 . . . . 0.0 111.439 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.734 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -60.5 -55.14 37.04 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.925 0.393 . . . . 0.0 110.521 179.654 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' HA ' ' CG ' ' A' ' 50' ' ' LYS . 6.9 t70 -58.2 -24.67 59.94 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.224 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -70.97 -30.5 66.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.481 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 46' ' ' LYS . 2.5 mt -76.65 -38.03 30.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.9 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -80.74 -40.73 24.74 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.644 -0.423 . . . . 0.0 111.104 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.753 HG22 ' OG1' ' A' ' 53' ' ' THR . 3.1 m -81.08 -33.97 33.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.4 t80 56.13 23.48 6.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.209 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.753 ' OG1' HG22 ' A' ' 51' ' ' THR . 29.6 p -144.77 177.92 8.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.788 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 54' ' ' VAL . 10.0 t -121.76 16.3 5.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.439 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.9 p 50.88 29.54 4.48 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.825 0.345 . . . . 0.0 111.204 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.826 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.731 0.301 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.7 p -97.67 31.37 2.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.867 0.365 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.73 -39.54 3.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.6 -168.3 1.46 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.112 0.482 . . . . 0.0 110.749 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.74 59.2 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.021 0.439 . . . . 0.0 110.838 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.62 HG22 ' HB3' ' A' ' 10' ' ' LYS . 2.6 mt -124.23 75.71 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.304 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 47.44 -92.62 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.786 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.26 -50.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.803 0.335 . . . . 0.0 111.222 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.541 ' HG ' HG12 ' A' ' 39' ' ' VAL . 1.2 mp -87.63 -43.98 11.56 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.62 ' HB3' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -43.94 -36.56 2.48 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.953 178.736 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.443 ' HB2' ' HB ' ' A' ' 6' ' ' ILE . 18.5 tt0 -71.73 -48.1 49.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.829 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.434 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . . . -58.88 -49.54 77.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.668 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.707 ' O ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -65.09 -51.86 58.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.749 179.676 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.416 ' HG2' ' HD2' ' A' ' 13' ' ' LYS . 1.5 mm-40 -51.86 -41.98 62.28 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.796 0.331 . . . . 0.0 110.591 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' HA ' ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -61.1 -33.9 74.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.226 179.553 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -61.29 -44.32 97.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.102 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.946 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.2 mp -74.63 -51.12 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.294 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.45 ' HG2' ' HA ' ' A' ' 15' ' ' GLU . 6.0 pttt -55.94 -48.74 75.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.764 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.434 ' N ' ' CG ' ' A' ' 18' ' ' LYS . 5.5 mm-40 -57.74 -43.97 85.72 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.857 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -63.12 -36.85 84.96 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 177.521 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.946 HG23 ' O ' ' A' ' 17' ' ' ILE . 48.3 t -64.25 -35.31 73.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.907 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.71 -19.68 61.36 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.092 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.0 -81.37 0.53 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.703 0.287 . . . . 0.0 111.473 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.494 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 148.23 -75.96 0.26 Allowed Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.263 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.467 ' OG1' HG22 ' A' ' 49' ' ' ILE . 2.7 t 42.49 -167.48 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.104 0.478 . . . . 0.0 112.256 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HB1' ' CE ' ' A' ' 28' ' ' LYS . . . -78.03 94.28 4.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.734 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.857 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -52.92 -29.21 27.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.256 -179.625 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.462 ' CE ' ' HB1' ' A' ' 26' ' ' ALA . 1.4 pttp -45.29 -38.13 5.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.126 0.489 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.649 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -60.49 -41.34 94.05 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.057 179.29 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.777 HG12 HD13 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -62.05 -41.61 91.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -31.04 16.46 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.463 ' HB3' HD13 ' A' ' 45' ' ' LEU . 1.4 tp -75.67 -31.79 59.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.953 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.704 ' HA ' HD12 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -62.83 -29.87 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 120.798 0.333 . . . . 0.0 110.825 -179.799 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.442 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.63 -32.05 58.3 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.992 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.98 -2.91 33.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.067 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.649 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -35.71 -36.87 0.08 Allowed 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.469 ' O ' HD21 ' A' ' 9' ' ' LEU . 9.2 tmtt? 69.28 -66.35 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.47 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -84.77 142.99 29.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.693 -179.835 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.541 HG12 ' HG ' ' A' ' 9' ' ' LEU . 19.4 m -56.13 -46.31 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.18 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.484 ' N ' HG23 ' A' ' 39' ' ' VAL . 2.3 tm-20 -60.96 -44.5 97.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.403 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -57.09 -27.75 57.69 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.656 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.649 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -77.76 -50.16 20.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.873 0.368 . . . . 0.0 110.604 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.434 ' CZ2' ' HA ' ' A' ' 12' ' ' ALA . 93.4 m95 -57.8 -29.78 65.17 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.671 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.8 m -74.77 -49.35 21.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.163 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 33' ' ' ILE . 37.4 mt -52.77 -53.97 40.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.518 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.661 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.04 -55.6 30.81 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 110.951 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.2 -33.04 71.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.044 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -56.97 -43.51 81.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.428 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.661 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.0 OUTLIER -66.79 -35.19 74.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.281 179.443 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 17.2 mmtt -65.19 -32.26 73.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.483 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.3 m -76.19 -19.83 58.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.939 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -90.78 24.48 2.71 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.321 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.6 p 60.07 158.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 55' ' ' THR . 12.7 m -135.65 -46.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.031 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.526 ' O ' HG22 ' A' ' 55' ' ' THR . 23.3 m -140.8 31.46 1.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.868 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 120.716 0.293 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.1 p -121.81 157.98 29.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.999 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -101.36 139.22 37.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.621 ' HB3' HD11 ' A' ' 7' ' ' LEU . 1.8 mtmm -65.9 -167.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tp -165.95 -69.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.034 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.539 ' C ' HD12 ' A' ' 7' ' ' LEU . 2.8 mt -120.24 117.63 54.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.115 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.621 HD11 ' HB3' ' A' ' 4' ' ' LYS . 6.6 mp -136.64 -72.26 0.44 Allowed 'General case' 0 C--O 1.239 0.523 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.785 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -177.62 115.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.708 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.911 HD11 ' O ' ' A' ' 37' ' ' LYS . 4.3 mm? -87.8 -42.92 12.24 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.7 -36.66 5.13 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.447 179.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -63.69 -42.64 97.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.272 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.42 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -78.06 -42.63 31.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.808 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -60.51 -48.73 80.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.8 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.69 -37.13 86.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.712 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.493 ' HA ' ' HG2' ' A' ' 18' ' ' LYS . 1.3 tt0 -73.73 -33.22 64.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.95 76.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.506 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.911 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.8 tp -67.15 -51.38 54.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.7 0.286 . . . . 0.0 111.421 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.493 ' HG2' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -61.1 -40.42 93.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.849 179.583 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -57.85 -45.37 86.35 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 178.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.839 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -61.81 -36.12 80.2 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 177.041 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 17' ' ' ILE . 39.9 t -69.59 -35.0 64.12 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.05 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -75.06 -28.09 60.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.151 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.75 -71.6 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.298 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.19 75.06 0.91 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.248 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.578 ' CG2' HG21 ' A' ' 49' ' ' ILE . 13.9 t -126.0 -171.04 2.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.036 0.446 . . . . 0.0 111.267 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.526 ' HB1' ' HD3' ' A' ' 28' ' ' LYS . . . -56.59 95.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.021 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.866 ' O ' HG22 ' A' ' 30' ' ' ILE . 6.9 pm0 -54.06 -29.54 44.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.209 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.526 ' HD3' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -43.53 -32.96 1.01 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.132 0.492 . . . . 0.0 110.35 179.47 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.57 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -73.02 -42.97 62.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.298 179.113 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.866 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -56.53 -31.92 35.32 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.072 0 CA-C-O 121.334 0.588 . . . . 0.0 109.467 178.772 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -31.6 68.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.335 178.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.28 -31.94 70.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.474 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.794 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -74.52 -29.82 24.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.288 -179.751 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.408 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -53.3 -26.06 17.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.813 0.339 . . . . 0.0 111.082 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.24 -2.75 17.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.798 ' HB3' HG22 ' A' ' 42' ' ' VAL . . . -40.64 -30.82 0.13 Allowed 'General case' 0 C--O 1.231 0.12 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.911 ' O ' HD11 ' A' ' 9' ' ' LEU . 1.1 mtmt 65.47 -73.83 0.06 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.777 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.641 ' O ' HG23 ' A' ' 42' ' ' VAL . 69.7 p -66.71 125.27 25.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.541 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 40' ' ' GLU . 10.9 m -48.16 -45.71 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.407 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.423 ' N ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -60.31 -53.1 61.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.351 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.517 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -53.64 -25.43 28.58 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.937 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.798 HG22 ' HB3' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -76.98 -52.12 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 0.0 110.831 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.42 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 85.9 m95 -55.9 -28.47 56.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.798 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' GLU . 3.5 m -76.1 -47.46 24.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.794 ' CB ' HG22 ' A' ' 33' ' ' ILE . 30.9 mt -52.7 -48.53 66.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.425 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.762 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -65.87 -55.64 15.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.066 0.46 . . . . 0.0 110.664 179.631 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.35 -24.72 65.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.065 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 44' ' ' THR . 23.1 tt0 -69.68 -39.41 77.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.99 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.762 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.7 mt -67.17 -38.67 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.602 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -31.01 72.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.827 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.4 m -75.28 -48.05 25.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' A' ' 53' ' ' THR . 0.1 OUTLIER -164.72 -155.34 0.26 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.054 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.467 ' N ' ' CG ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -151.72 -75.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.838 0.352 . . . . 0.0 110.977 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 m -101.83 146.89 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.195 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 m -104.18 31.21 4.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.883 -179.944 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 121.172 0.511 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.2 p -111.53 135.97 51.37 Favored 'General case' 0 N--CA 1.458 -0.07 0 CA-C-O 121.018 0.437 . . . . 0.0 110.685 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.34 -52.44 3.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.982 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -105.82 -167.57 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.612 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tp -174.01 112.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.203 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.835 ' C ' HD13 ' A' ' 7' ' ' LEU . 3.3 mt -105.26 115.85 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.83 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.835 HD13 ' C ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -122.6 -58.14 1.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.867 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 179.82 -33.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.387 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.2 mm? -87.55 -42.18 12.93 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.49 0.662 . . . . 0.0 109.329 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -46.37 -36.98 6.94 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.316 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -67.59 -39.6 84.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.307 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.881 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -76.97 -43.83 33.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.753 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.32 -49.42 76.16 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.493 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.49 -34.33 77.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.018 0.437 . . . . 0.0 110.411 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' HA ' ' HG2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -73.8 -33.17 64.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.713 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.57 -36.58 76.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.353 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.942 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.6 tp -72.66 -50.58 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.613 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.438 ' N ' HG23 ' A' ' 17' ' ' ILE . 2.4 ptpt -58.52 -38.27 77.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.705 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 5.0 mm-40 -63.6 -42.36 98.25 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 178.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.76 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -66.21 -36.29 82.66 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.239 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 17' ' ' ILE . 44.4 t -65.4 -35.1 74.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 114.975 -1.012 . . . . 0.0 110.115 178.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.64 -18.1 60.59 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.342 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.16 -86.4 0.38 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.643 0.259 . . . . 0.0 111.579 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.488 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 156.82 -70.66 0.26 Allowed Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.232 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.708 ' OG1' HG22 ' A' ' 49' ' ' ILE . 3.4 t 42.41 -166.08 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.914 0.388 . . . . 0.0 111.903 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.79 96.01 6.84 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.051 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.76 ' HA ' HD21 ' A' ' 20' ' ' LEU . 1.5 mt-10 -53.65 -29.49 38.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.054 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 1.2 mptt -45.93 -35.89 5.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.185 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.647 ' O ' HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -65.04 -37.68 88.38 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 109.979 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.716 ' CG1' HD13 ' A' ' 20' ' ' LEU . 3.3 mm -62.22 -31.78 52.63 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-O 121.315 0.579 . . . . 0.0 109.68 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 1.8 ttpt -65.09 -31.07 72.1 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 177.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.34 -33.09 49.35 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.921 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.819 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -70.71 -29.73 39.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.363 -179.571 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.451 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.86 -26.35 34.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.97 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.77 -3.27 39.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.754 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -51.76 133.7 31.19 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.805 0.336 . . . . 0.0 111.223 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -101.59 -36.56 8.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.431 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.86 134.66 41.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.388 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.459 HG23 ' N ' ' A' ' 40' ' ' GLU . 11.8 m -50.33 -48.72 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.266 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.459 ' N ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -58.67 -37.2 75.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.011 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.528 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -63.0 -28.81 72.67 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.708 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.754 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -80.56 -51.02 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.692 0.282 . . . . 0.0 110.947 -179.837 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.881 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.8 OUTLIER -58.64 -32.04 68.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.584 179.66 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.591 HG22 ' OE1' ' A' ' 48' ' ' GLU . 37.2 m -72.56 -45.63 58.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.945 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.819 ' CB ' HG22 ' A' ' 33' ' ' ILE . 12.7 mt -53.14 -49.63 66.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.486 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 6.4 pttp -65.45 -49.63 68.4 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.038 0.446 . . . . 0.0 110.537 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.51 -24.49 66.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.725 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.591 ' OE1' HG22 ' A' ' 44' ' ' THR . 4.9 mt-10 -73.62 -30.16 62.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.817 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.708 HG22 ' OG1' ' A' ' 25' ' ' THR . 0.2 OUTLIER -75.03 -38.39 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.347 . . . . 0.0 110.474 179.603 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.604 ' O ' HG22 ' A' ' 53' ' ' THR . 2.2 mptp? -68.64 -27.38 65.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.798 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -78.71 -28.48 45.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.08 23.24 12.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.207 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.604 HG22 ' O ' ' A' ' 50' ' ' LYS . 8.9 t -78.79 -47.23 17.12 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.554 HG23 HG23 ' A' ' 53' ' ' THR . 32.7 t -131.74 158.69 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.475 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.481 ' N ' HG12 ' A' ' 54' ' ' VAL . 1.8 m 62.72 34.65 14.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.065 0.459 . . . . 0.0 111.036 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.249 -0.882 . . . . 0.0 111.164 -179.919 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.493 1.718 0 CA-C-O 120.728 0.299 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.1 125.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.096 0.474 . . . . 0.0 111.127 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -95.09 137.48 34.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.032 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.93 171.25 8.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 179.71 88.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.981 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.721 HG22 HG23 ' A' ' 39' ' ' VAL . 2.0 mt -117.16 83.24 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.64 ' HB2' HG21 ' A' ' 39' ' ' VAL . 2.6 mp 55.95 -85.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.359 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 6' ' ' ILE . 5.8 t-20 -166.97 115.54 0.84 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.779 0.323 . . . . 0.0 111.08 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.8 mm? -88.08 -41.12 13.28 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.473 0.654 . . . . 0.0 109.462 178.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.27 -37.07 6.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.023 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -72.16 -38.42 69.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.281 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.793 ' HB1' ' HB ' ' A' ' 42' ' ' VAL . . . -73.06 -42.33 63.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.835 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.5 tttt -73.67 -48.82 29.38 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.702 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -56.67 -43.45 80.43 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.899 0.381 . . . . 0.0 110.466 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.73 -33.34 74.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.51 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.41 -37.95 76.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.84 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.98 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.3 mm -73.6 -51.42 25.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.437 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -53.63 -48.67 69.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.671 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -57.56 -42.72 83.57 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.919 HD13 HD11 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -66.37 -30.56 70.97 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 177.744 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.98 HG23 ' O ' ' A' ' 17' ' ' ILE . 23.2 t -74.72 -35.22 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.984 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -91.17 -17.82 25.47 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.604 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -113.88 -47.89 2.94 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.83 0.308 . . . . 0.0 111.83 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.42 98.3 0.19 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.111 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.513 ' OG1' HG22 ' A' ' 49' ' ' ILE . 5.1 t -146.64 -167.09 2.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.22 0.533 . . . . 0.0 111.326 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.502 ' HB3' ' CG2' ' A' ' 49' ' ' ILE . . . -60.01 88.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.888 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.719 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -53.0 -29.4 29.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.111 -179.773 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 4.3 mttt -44.69 -35.71 2.78 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.783 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -64.68 -38.52 91.29 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.602 -0.439 . . . . 0.0 109.931 179.601 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.919 HD11 HD13 ' A' ' 20' ' ' LEU . 2.8 mm -59.22 -32.06 47.43 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 8.1 tmtt? -64.74 -31.23 72.35 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 177.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.5 -35.34 34.81 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.485 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.811 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -73.86 -30.07 27.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.722 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.99 -25.45 21.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.948 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -102.15 -2.94 28.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.199 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.698 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -43.55 121.87 2.46 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.797 0.332 . . . . 0.0 111.646 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.84 26.22 5.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.583 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -162.38 133.53 5.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.491 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.721 HG23 HG22 ' A' ' 6' ' ' ILE . 8.9 t -54.22 -42.41 56.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.069 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.91 -42.05 81.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.634 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.58 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -57.21 -28.72 59.1 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.489 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.793 ' HB ' ' HB1' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -80.45 -45.25 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.695 0.283 . . . . 0.0 110.6 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.599 ' NE1' HG12 ' A' ' 39' ' ' VAL . 22.8 m95 -58.66 -34.04 70.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.549 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.497 HG22 ' HG3' ' A' ' 48' ' ' GLU . 9.5 m -74.28 -47.15 36.7 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.267 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.811 ' CB ' HG22 ' A' ' 33' ' ' ILE . 50.2 mt -50.64 -51.77 45.92 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.45 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.598 ' HA ' HD12 ' A' ' 49' ' ' ILE . 9.0 pttt -63.44 -48.34 78.14 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.117 0.484 . . . . 0.0 110.484 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 46' ' ' LYS . 1.2 t70 -64.11 -24.65 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.908 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.497 ' HG3' HG22 ' A' ' 44' ' ' THR . 1.7 mt-10 -71.16 -30.46 66.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.21 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.783 HD11 ' HB3' ' A' ' 29' ' ' TYR . 0.8 OUTLIER -78.84 -36.88 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.747 179.722 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -64.91 -29.81 70.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.941 0.401 . . . . 0.0 110.395 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.6 -25.78 19.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.626 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -108.09 25.09 12.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 49' ' ' ILE . 31.6 p -51.59 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.132 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.6 p -94.73 147.71 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.248 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 46.1 m -103.91 -27.39 12.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.988 179.953 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 40.5 p . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 120.873 0.368 . . . . 0.0 111.515 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 2' ' ' THR . 4.7 t -75.85 93.01 3.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.312 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -91.82 -38.41 12.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 53.02 -174.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.721 HD12 ' CD2' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -177.49 90.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.694 -179.381 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mt -96.38 85.5 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.453 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.721 ' CD2' HD12 ' A' ' 5' ' ' LEU . 1.4 mm? -65.15 -72.63 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.621 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -145.78 55.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.582 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.442 HD21 ' O ' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -88.02 -44.87 10.66 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.468 179.307 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.49 -37.08 3.26 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.355 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -76.02 -38.82 56.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.456 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.468 ' HB1' ' HB ' ' A' ' 42' ' ' VAL . . . -72.43 -43.35 63.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.189 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -61.42 -49.28 77.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.821 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.86 -34.59 77.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.684 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -78.9 -35.79 42.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.77 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.6 -49.27 75.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.951 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.3 tp -69.9 -48.06 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.728 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.457 ' N ' HG23 ' A' ' 17' ' ' ILE . 47.6 tttp -54.43 -48.82 71.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.69 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -56.72 -44.41 81.59 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.784 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -63.82 -36.76 84.96 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.558 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.951 HG23 ' O ' ' A' ' 17' ' ' ILE . 41.1 t -65.27 -35.34 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.377 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.8 -20.26 63.46 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.95 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -132.41 -80.48 0.5 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.336 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.456 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 148.96 -75.5 0.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.382 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 24' ' ' GLY . 5.0 t 42.48 -165.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.871 0.367 . . . . 0.0 111.947 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.561 ' HB1' ' HD3' ' A' ' 28' ' ' LYS . . . -80.31 103.05 9.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.815 ' O ' HG22 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -57.7 -29.46 64.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.061 -179.848 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.561 ' HD3' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -43.82 -32.07 0.98 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.108 0.48 . . . . 0.0 110.29 179.533 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.583 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -73.19 -46.87 48.1 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.188 179.098 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.841 HD13 ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -59.45 -35.39 58.51 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-O 121.26 0.553 . . . . 0.0 109.535 179.028 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -31.41 72.57 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.714 178.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -32.41 72.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.579 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.769 HG22 ' HB2' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -72.34 -29.86 33.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.445 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -52.63 -27.47 17.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.116 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -98.75 -3.24 36.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.327 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.74 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -52.18 134.85 32.83 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.905 0.383 . . . . 0.0 111.275 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -102.96 -30.96 10.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.541 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.62 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -102.81 141.95 34.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.501 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 40' ' ' GLU . 15.4 m -54.6 -48.14 71.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.301 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.464 ' N ' HG23 ' A' ' 39' ' ' VAL . 2.4 tt0 -59.26 -47.65 84.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.999 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.458 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -53.84 -30.36 44.4 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.582 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.74 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -78.81 -54.89 11.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.954 0.407 . . . . 0.0 110.657 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.418 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 94.3 m95 -60.05 -27.35 66.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.7 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 48' ' ' GLU . 86.1 m -72.98 -47.14 47.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.769 ' HB2' HG22 ' A' ' 33' ' ' ILE . 87.3 mt -57.5 -52.3 65.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.318 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.687 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -60.45 -53.38 58.31 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.016 0.436 . . . . 0.0 110.655 179.7 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -63.11 -27.97 69.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.87 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' THR . 7.4 mt-10 -61.91 -35.32 78.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.564 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -77.23 -34.93 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.588 179.714 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -59.85 -44.95 93.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.824 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 53' ' ' THR . 64.0 p -73.96 -31.0 62.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.1 t80 59.91 24.35 13.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.08 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 51' ' ' THR . 59.5 p -129.65 102.3 6.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 54' ' ' VAL . 10.9 p -147.8 61.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.045 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 m -125.43 -45.41 1.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.897 179.968 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.731 0.3 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.5 p -58.67 -178.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.04 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -97.93 -7.61 29.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.343 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.616 ' HB3' HD12 ' A' ' 6' ' ' ILE . 23.9 ttmt -114.94 14.78 17.3 Favored 'General case' 0 C--O 1.228 -0.072 0 CA-C-O 120.591 0.234 . . . . 0.0 111.186 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 73.06 15.68 4.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.07 178.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.616 HD12 ' HB3' ' A' ' 4' ' ' LYS . 5.0 mt -94.5 96.7 6.16 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 CA-C-O 120.978 0.418 . . . . 0.0 111.227 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mp -114.25 -38.72 4.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.613 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -160.24 29.38 0.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.567 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.486 ' CD1' HG21 ' A' ' 42' ' ' VAL . 3.8 mm? -87.94 -46.53 9.3 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.443 0.639 . . . . 0.0 109.581 179.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.4 -37.1 2.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.816 -1.083 . . . . 0.0 110.528 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -71.42 -43.12 67.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.579 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.432 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . . . -71.41 -43.54 66.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.937 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.439 ' O ' HG22 ' A' ' 17' ' ' ILE . 14.8 mttp -56.38 -42.13 77.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.004 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -68.58 -34.46 75.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.65 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.54 -35.54 53.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.808 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.614 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -60.73 -49.43 77.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.967 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.4 tp -65.29 -49.47 78.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.739 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.446 ' N ' HG23 ' A' ' 17' ' ' ILE . 2.0 tppt? -54.13 -48.7 70.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.549 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.18 -44.57 83.66 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.94 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -64.02 -32.37 73.9 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.622 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.967 HG23 ' O ' ' A' ' 17' ' ' ILE . 26.4 t -72.56 -35.53 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.017 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -85.56 -23.78 27.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.267 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.87 -58.78 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.319 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.08 51.2 3.24 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.217 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.786 ' CG2' HG21 ' A' ' 49' ' ' ILE . 14.7 t -103.38 -170.72 1.83 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.309 0.575 . . . . 0.0 111.211 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.88 100.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.314 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.94 ' HA ' HD21 ' A' ' 20' ' ' LEU . 13.8 pt-20 -56.19 -29.45 60.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.107 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -43.7 -32.64 1.04 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.314 0.578 . . . . 0.0 110.329 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.698 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -70.21 -44.41 68.69 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.566 179.386 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.908 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -60.42 -33.86 55.72 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 CA-C-O 121.109 0.48 . . . . 0.0 109.801 179.299 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -31.52 72.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.618 178.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.66 -31.71 65.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.483 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.614 HD13 ' CB ' ' A' ' 16' ' ' ALA . 0.7 OUTLIER -69.93 -29.73 41.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.244 -179.717 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.479 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -57.23 -29.53 63.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.938 0.399 . . . . 0.0 110.84 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.69 -2.88 22.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.15 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.672 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -33.82 -37.32 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 69.54 -65.98 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.706 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -80.1 138.64 36.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 179.823 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.8 t -54.88 -54.84 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.461 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -39.7 76.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.018 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.813 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.89 -29.75 65.3 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.65 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.672 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -76.41 -52.36 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.391 . . . . 0.0 110.993 -179.69 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 88.7 m95 -57.57 -33.4 68.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.325 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.412 HG22 ' C ' ' A' ' 41' ' ' GLY . 14.0 t -75.06 -33.08 61.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.456 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.813 ' HG ' ' O ' ' A' ' 41' ' ' GLY . 82.3 mt -64.22 -52.33 59.36 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.016 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.631 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -60.52 -47.84 84.4 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.225 0.536 . . . . 0.0 109.854 179.032 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.452 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 5.4 m-20 -65.47 -29.56 70.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.377 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.45 -37.35 75.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.176 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.786 HG21 ' CG2' ' A' ' 25' ' ' THR . 1.2 mt -74.76 -35.75 37.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.629 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -60.1 -50.69 72.69 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.781 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.59 -24.4 36.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.045 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.1 t80 67.33 24.01 9.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.157 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.466 ' O ' HG12 ' A' ' 54' ' ' VAL . 3.4 t -63.16 127.22 30.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.588 ' O ' HG22 ' A' ' 54' ' ' VAL . 12.2 p 43.89 35.26 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.573 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.8 m -88.84 -44.15 10.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.816 -179.911 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.8 t . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 120.44 0.162 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.409 HG23 ' H ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -110.21 -82.6 0.57 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.622 -179.825 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.409 ' H ' HG23 ' A' ' 2' ' ' THR . 0.3 OUTLIER -127.95 17.7 6.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.06 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -135.12 179.44 6.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.878 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 tp -177.01 73.79 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.985 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.421 ' HA ' ' HB3' ' A' ' 10' ' ' LYS . 6.5 mt -66.85 103.53 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.923 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 7' ' ' LEU . 3.4 mm? -94.89 -82.11 0.38 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.44 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.643 ' OD1' HD12 ' A' ' 9' ' ' LEU . 29.8 p-10 -134.54 -37.05 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.98 -178.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.643 HD12 ' OD1' ' A' ' 8' ' ' ASN . 1.1 mp -87.8 -46.62 9.28 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.403 0.62 . . . . 0.0 109.596 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.421 ' HB3' ' HA ' ' A' ' 6' ' ' ILE . 2.3 mttt -44.81 -36.68 3.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.417 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -73.07 -40.74 64.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.242 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.611 ' HB1' ' HB ' ' A' ' 42' ' ' VAL . . . -71.59 -45.47 62.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.683 ' O ' HD12 ' A' ' 17' ' ' ILE . 5.0 mtpm? -69.18 -51.8 34.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.77 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -52.34 -42.26 63.74 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.054 0.454 . . . . 0.0 110.371 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.4 -33.07 70.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.355 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -52.57 -45.93 66.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.051 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.985 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.2 mp -74.86 -51.28 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-O 120.933 0.397 . . . . 0.0 110.726 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -49.04 68.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.685 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.401 ' HG3' ' HE2' ' A' ' 46' ' ' LYS . 5.5 mm-40 -58.29 -44.61 88.6 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.908 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -63.21 -31.1 72.17 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.49 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 17' ' ' ILE . 37.4 t -73.03 -35.32 48.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.839 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -90.36 -18.09 26.13 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.506 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.36 -48.69 3.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.688 0.28 . . . . 0.0 111.486 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.2 77.62 0.69 Allowed Glycine 0 C--O 1.226 -0.366 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.134 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.609 ' CG2' HG21 ' A' ' 49' ' ' ILE . 5.5 t -135.55 178.41 7.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.972 0.415 . . . . 0.0 111.051 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.586 ' HB1' ' HD3' ' A' ' 28' ' ' LYS . . . -46.88 95.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.551 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.908 ' HA ' HD21 ' A' ' 20' ' ' LEU . 2.1 mt-10 -54.18 -28.93 43.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.578 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.586 ' HD3' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -43.27 -35.32 1.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.164 0.506 . . . . 0.0 110.543 179.345 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.516 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -71.11 -43.01 68.5 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.334 179.029 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.897 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -60.69 -33.06 53.46 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.037 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.59 -31.48 72.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.773 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tp -69.32 -31.73 70.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.807 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.761 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -74.59 -29.86 24.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.06 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.425 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -51.62 -30.37 21.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.906 0.384 . . . . 0.0 111.244 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.58 -3.11 50.29 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.765 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -54.38 134.44 45.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.818 0.342 . . . . 0.0 111.262 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.32 -30.28 9.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.989 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.61 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -101.96 140.54 36.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.509 179.296 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.412 HG11 ' HB2' ' A' ' 8' ' ' ASN . 14.9 m -54.63 -43.27 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.261 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -47.93 82.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.031 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.431 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -55.18 -30.34 54.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.464 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.765 HG22 ' HB1' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -81.02 -50.34 17.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.892 0.377 . . . . 0.0 110.405 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.43 ' CZ2' ' HA ' ' A' ' 12' ' ' ALA . 83.0 m95 -61.06 -27.83 68.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.498 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.6 m -74.77 -47.15 32.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.231 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.761 ' CB ' HG22 ' A' ' 33' ' ' ILE . 48.9 mt -56.6 -52.28 65.45 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.232 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.745 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.44 -52.32 65.06 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.186 0.517 . . . . 0.0 110.528 179.526 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -63.6 -24.74 67.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.389 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.22 -29.07 64.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.199 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.2 mt -81.07 -34.76 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.194 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -28.99 61.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.918 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.544 ' O ' HG22 ' A' ' 53' ' ' THR . 41.0 p -101.6 -29.34 12.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.2 t80 61.34 23.46 13.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 51' ' ' THR . 3.0 t -172.35 165.81 5.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.816 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 54' ' ' VAL . 15.8 t -129.98 37.4 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.5 t -141.4 31.82 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.944 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 47.7 p . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.842 0.353 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.1 p 56.76 30.05 17.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.853 0.359 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -74.49 174.17 9.33 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.808 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.401 ' HA ' ' HE2' ' A' ' 4' ' ' LYS . 3.7 mmpt? -128.29 178.34 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.994 0.426 . . . . 0.0 111.078 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.476 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -159.16 160.38 35.46 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.008 -179.525 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.476 ' H ' HD13 ' A' ' 5' ' ' LEU . 3.5 mt -56.34 90.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.056 0.455 . . . . 0.0 111.109 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 7' ' ' LEU . 3.2 mm? -74.32 -78.91 0.09 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.684 ' HB3' HG11 ' A' ' 39' ' ' VAL . 57.4 t30 -147.95 31.35 0.86 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.851 0.358 . . . . 0.0 110.956 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.64 HD11 ' O ' ' A' ' 37' ' ' LYS . 3.2 mm? -87.94 -44.52 10.97 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.29 -36.84 2.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.509 179.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -72.14 -42.25 66.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.432 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.933 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -70.41 -45.77 65.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.68 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.603 ' O ' HG22 ' A' ' 17' ' ' ILE . 4.8 mtmm -60.93 -36.14 78.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.495 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -73.85 -34.05 64.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.431 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -37.53 44.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.614 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.606 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -61.51 -48.77 79.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.708 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.972 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.4 tp -63.59 -49.95 80.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.85 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.447 ' N ' HG23 ' A' ' 17' ' ' ILE . 17.1 ttpt -51.89 -48.82 63.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -58.52 -43.16 89.06 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.0 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -66.11 -29.27 69.56 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.684 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.972 HG23 ' O ' ' A' ' 17' ' ' ILE . 30.1 t -74.6 -35.5 38.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.092 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -90.46 -18.11 25.95 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.604 0.24 . . . . 0.0 111.428 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.42 -56.08 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 111.401 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.555 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 109.57 -82.8 0.31 Allowed Glycine 0 C--O 1.225 -0.442 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.06 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.548 ' OG1' HG22 ' A' ' 49' ' ' ILE . 3.2 t 41.91 -166.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.477 ' HB1' ' CD ' ' A' ' 28' ' ' LYS . . . -74.79 106.1 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.625 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 1.0 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -61.52 -30.52 70.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.477 ' CD ' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -44.26 -32.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.079 0.466 . . . . 0.0 110.734 179.67 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.598 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -70.72 -41.87 71.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.424 179.459 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.911 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -57.57 -31.71 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.785 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.37 -31.58 71.05 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.266 178.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.02 -31.87 66.61 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.729 179.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.812 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -71.99 -29.72 34.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.351 -179.739 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.472 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.39 -30.56 52.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.022 0.439 . . . . 0.0 111.166 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.1 -3.0 26.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.172 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.753 ' HB3' HG22 ' A' ' 42' ' ' VAL . . . -38.52 -33.15 0.09 Allowed 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.64 ' O ' HD11 ' A' ' 9' ' ' LEU . 0.1 OUTLIER 66.82 -71.96 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.69 -179.843 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.601 ' O ' HG23 ' A' ' 42' ' ' VAL . 17.8 p -70.81 129.82 40.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.546 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.684 HG11 ' HB3' ' A' ' 8' ' ' ASN . 8.9 m -50.56 -51.61 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.684 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -57.35 -46.71 83.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.203 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.818 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -56.75 -25.98 52.86 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.901 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.753 HG22 ' HB3' ' A' ' 36' ' ' ALA . 1.2 t -77.58 -50.16 20.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.825 0.345 . . . . 0.0 110.985 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.933 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.8 OUTLIER -56.73 -33.17 66.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.422 HG22 ' C ' ' A' ' 41' ' ' GLY . 5.8 t -75.22 -39.43 60.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.347 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.818 ' HG ' ' O ' ' A' ' 41' ' ' GLY . 63.9 mt -57.81 -51.55 69.11 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.141 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.666 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -62.36 -54.42 40.71 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.05 0.453 . . . . 0.0 110.42 179.445 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -27.89 69.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.884 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.462 ' OE1' HD23 ' A' ' 45' ' ' LEU . 7.0 mt-10 -61.53 -40.32 94.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.45 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.0 OUTLIER -70.86 -36.7 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.58 179.697 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -61.78 -29.89 70.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.6 -15.02 27.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.181 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.85 22.36 6.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.738 0.304 . . . . 0.0 111.3 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.5 t -72.42 -40.81 66.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.88 0.371 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.3 t 59.13 89.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.167 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.0 p -149.57 143.99 25.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 . . . . . 0 C--O 1.254 1.29 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.975 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 15.0 p . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.654 0.264 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.7 p -72.01 -64.35 0.96 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.949 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -173.92 -41.34 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.012 0.434 . . . . 0.0 111.193 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 6' ' ' ILE . 1.7 mptt -83.87 1.83 41.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.687 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.616 ' CD2' HD12 ' A' ' 6' ' ' ILE . 20.6 tp 59.86 -83.24 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.246 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.616 HD12 ' CD2' ' A' ' 5' ' ' LEU . 3.4 mt -116.96 120.96 66.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 120.976 0.417 . . . . 0.0 110.725 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.1 mp -98.15 -57.44 2.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -149.52 29.81 0.76 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.5 mm? -88.0 -46.15 9.6 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.374 0.607 . . . . 0.0 109.519 179.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.5 -37.2 2.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.486 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -71.22 -44.75 64.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.373 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.731 ' HB1' ' HB ' ' A' ' 42' ' ' VAL . . . -68.91 -44.38 73.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.044 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.69 ' O ' HD12 ' A' ' 17' ' ' ILE . 4.7 tttp -64.63 -51.7 61.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.537 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -50.02 -43.28 50.67 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.719 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.57 -33.21 72.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.517 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -53.48 -48.65 68.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.149 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.987 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.1 mp -72.06 -50.77 34.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.856 179.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -53.02 -48.87 67.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.111 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -58.88 -43.35 90.88 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.866 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -65.72 -32.6 74.25 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 177.766 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 17' ' ' ILE . 39.2 t -70.42 -35.41 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.363 179.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -71.81 -17.93 62.13 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.982 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.89 -77.81 0.45 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.861 0.363 . . . . 0.0 111.307 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.499 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 142.17 -71.32 0.41 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.05 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.569 ' OG1' HG22 ' A' ' 49' ' ' ILE . 4.2 t 41.69 -166.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.076 0.465 . . . . 0.0 112.169 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.25 96.97 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.859 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.945 ' O ' HG22 ' A' ' 30' ' ' ILE . 2.8 mt-10 -55.24 -29.13 57.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.918 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -44.57 -34.91 2.31 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.119 0.485 . . . . 0.0 110.732 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.595 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -70.55 -41.59 72.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.223 179.421 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.945 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -58.52 -31.98 44.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 109.506 -0.554 . . . . 0.0 109.506 179.04 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -69.46 -31.43 69.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.599 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.84 -31.78 69.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.691 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.783 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -75.3 -29.54 21.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.253 -179.602 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.408 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -37.9 -40.08 0.42 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 111.392 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -109.74 -30.72 7.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.247 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.736 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . 39.73 -112.89 0.14 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.923 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm 179.35 -40.23 0.01 OUTLIER 'General case' 0 C--O 1.231 0.106 0 CA-C-O 121.165 0.507 . . . . 0.0 110.078 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.67 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -146.69 -163.87 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.233 179.67 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -76.83 -54.92 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.909 0.385 . . . . 0.0 111.083 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -65.52 -30.47 71.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.506 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -59.4 -35.09 83.68 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.023 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.794 ' HA ' HD12 ' A' ' 45' ' ' LEU . 2.1 t -78.59 -46.46 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.534 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 12' ' ' ALA . 89.6 m95 -60.01 -28.11 67.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.436 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.603 HG22 ' HG3' ' A' ' 48' ' ' GLU . 57.8 m -78.56 -35.77 45.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.116 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' A' ' 42' ' ' VAL . 8.3 mt -62.97 -51.66 66.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.068 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.689 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -64.98 -41.95 94.98 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.051 0.453 . . . . 0.0 110.359 179.362 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -71.93 -24.58 61.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.835 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.603 ' HG3' HG22 ' A' ' 44' ' ' THR . 0.2 OUTLIER -69.57 -31.47 69.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.743 -179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -81.6 -39.14 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.76 179.785 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -29.19 67.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.478 ' O ' HG22 ' A' ' 53' ' ' THR . 71.4 p -99.71 -39.5 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.73 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 60.34 23.38 12.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.06 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 51' ' ' THR . 5.0 t -162.93 141.37 8.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.873 0.368 . . . . 0.0 110.995 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.577 HG21 ' OE2' ' A' ' 48' ' ' GLU . 21.8 t -131.01 146.09 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.077 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.7 p -76.77 -46.04 26.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.917 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.807 0.336 . . . . 0.0 111.4 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.71 163.66 27.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.984 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -81.27 131.93 35.32 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.744 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -112.88 27.46 9.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.76 96.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.048 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.484 ' CG2' HD23 ' A' ' 9' ' ' LEU . 3.5 mt -110.88 109.58 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.03 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.17 -74.64 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -174.7 89.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.484 HD23 ' CG2' ' A' ' 6' ' ' ILE . 3.9 mm? -87.89 -42.02 12.8 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.417 0.627 . . . . 0.0 109.377 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -46.61 -36.82 7.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.254 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -69.12 -39.39 78.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.164 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.9 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -73.7 -45.12 54.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.685 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -58.45 -51.16 71.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.655 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.31 -37.81 78.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.489 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.67 -33.98 74.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.446 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.511 ' HB2' HD13 ' A' ' 33' ' ' ILE . . . -60.26 -47.76 84.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.718 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.964 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.6 tp -73.18 -50.39 31.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.492 ' N ' HG23 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -55.35 -48.71 73.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.474 179.665 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -56.53 -43.58 79.99 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.761 HD13 ' CG1' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -64.93 -33.48 76.12 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 177.698 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.964 HG23 ' O ' ' A' ' 17' ' ' ILE . 34.6 t -70.82 -34.93 58.09 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.676 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.24 -24.11 27.95 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.364 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.428 ' HB3' ' NZ ' ' A' ' 50' ' ' LYS . . . -109.76 -75.61 0.62 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.804 0.335 . . . . 0.0 111.193 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.54 111.37 3.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.253 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.524 HG23 HG21 ' A' ' 49' ' ' ILE . 4.7 t -162.95 -167.44 1.51 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.934 0.397 . . . . 0.0 111.121 -179.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.13 84.7 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.101 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.675 ' HA ' HD21 ' A' ' 20' ' ' LEU . 5.1 pt-20 -48.62 -29.05 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.164 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 3.8 tptp -44.88 -41.26 6.97 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.706 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -62.19 -35.85 80.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.063 0.458 . . . . 0.0 109.766 179.382 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.761 ' CG1' HD13 ' A' ' 20' ' ' LEU . 3.0 mm -64.23 -31.98 55.61 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.689 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -63.84 -31.19 72.28 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.129 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tp -72.71 -32.86 66.06 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.76 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.793 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -70.12 -29.59 40.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.223 -179.694 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.457 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.45 -29.58 50.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.903 0.382 . . . . 0.0 111.044 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -96.86 -3.24 42.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.249 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.699 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -47.48 132.48 13.5 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.945 0.402 . . . . 0.0 111.312 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -115.68 29.57 7.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.475 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.674 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -162.43 134.86 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.628 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.0 m -54.27 -36.6 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.155 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.576 ' O ' HG23 ' A' ' 44' ' ' THR . 16.3 tp10 -75.31 -36.39 61.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.075 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.663 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -65.0 -28.35 73.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.562 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.699 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -83.11 -51.58 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.361 . . . . 0.0 110.682 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.9 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -58.28 -29.14 65.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.543 179.446 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 40' ' ' GLU . 24.8 p -77.33 -45.09 27.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.216 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.793 ' CB ' HG22 ' A' ' 33' ' ' ILE . 64.0 mt -54.92 -51.11 67.08 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.395 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.697 ' HA ' HD12 ' A' ' 49' ' ' ILE . 1.9 pttp -65.0 -51.23 62.82 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.999 0.428 . . . . 0.0 110.785 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -64.8 -24.65 67.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.014 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' THR . 12.5 mt-10 -68.12 -39.25 82.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.693 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.706 HD11 ' HB3' ' A' ' 29' ' ' TYR . 1.3 mt -69.62 -40.42 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.679 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.428 ' NZ ' ' HB3' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -66.74 -26.18 66.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.018 -179.883 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.0 m -78.23 -47.89 16.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.785 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CD2' HG23 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -159.15 -156.88 0.55 Allowed 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.956 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.48 ' N ' ' CG ' ' A' ' 52' ' ' PHE . 3.8 t -179.62 69.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.772 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.569 HG23 ' CD2' ' A' ' 52' ' ' PHE . 8.5 t -116.94 133.35 63.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 m 62.71 88.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.805 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 33.7 p . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.713 0.292 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m -105.31 50.79 0.77 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.045 0.45 . . . . 0.0 110.63 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -66.51 174.39 2.81 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.617 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -137.52 -174.4 3.75 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.77 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.682 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -161.7 150.75 15.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.888 -179.306 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.682 ' H ' HD13 ' A' ' 5' ' ' LEU . 3.9 mt -77.91 89.36 1.09 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.143 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.5 mp -74.51 -76.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.844 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -127.61 30.39 5.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.812 0.339 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.53 HD23 ' HE3' ' A' ' 13' ' ' LYS . 1.7 mp -88.03 -46.74 9.08 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.478 ' HD3' HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -44.92 -36.55 3.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.395 178.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -82.34 -39.29 23.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.262 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.701 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -64.75 -48.96 72.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.851 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.686 ' O ' HD12 ' A' ' 17' ' ' ILE . 17.3 mttt -69.3 -51.48 36.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.759 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -48.72 -37.76 19.65 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.538 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.404 ' OE1' ' CZ2' ' A' ' 43' ' ' TRP . 4.3 mt-10 -74.68 -33.15 62.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.504 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.539 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -54.36 -44.93 72.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.038 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.967 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.0 mp -75.86 -48.27 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.787 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -48.77 75.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.642 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.81 -44.52 90.83 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 178.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.917 HD13 HD11 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -61.9 -37.49 84.82 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.584 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.967 HG23 ' O ' ' A' ' 17' ' ' ILE . 49.7 t -62.65 -35.1 68.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.74 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -67.84 -23.25 65.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.884 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -130.4 -82.34 0.54 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.79 0.328 . . . . 0.0 111.268 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.484 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 150.79 -75.03 0.25 Allowed Glycine 0 CA--C 1.517 0.184 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.112 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.666 HG21 HG21 ' A' ' 49' ' ' ILE . 6.0 t 40.08 -163.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.163 0.506 . . . . 0.0 112.174 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.61 ' HB2' ' OXT' ' A' ' 56' ' ' GLU . . . -77.73 101.8 6.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.147 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.746 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -58.13 -29.2 65.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.756 179.714 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.28 -30.97 5.33 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.94 0.4 . . . . 0.0 110.31 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.712 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -61.42 -34.92 76.21 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.719 179.072 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.917 HD11 HD13 ' A' ' 20' ' ' LEU . 2.7 mm -70.58 -31.86 47.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.697 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -59.51 -30.97 68.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.335 178.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.06 -36.0 41.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.977 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.863 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -65.65 -29.53 47.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.444 -179.693 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.462 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -41.13 -43.22 2.21 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.907 0.384 . . . . 0.0 111.051 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -106.07 -30.7 9.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.061 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.571 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . 38.67 -94.57 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.084 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 164.44 -33.83 0.0 OUTLIER 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.078 0.466 . . . . 0.0 109.901 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.779 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -163.11 175.11 11.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.249 179.774 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 40' ' ' GLU . 16.3 m -54.75 -47.33 74.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.464 ' N ' HG23 ' A' ' 39' ' ' VAL . 33.3 tt0 -69.32 -40.38 77.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.602 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -54.84 -34.87 57.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.188 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 38' ' ' THR . 1.7 t -74.11 -49.97 30.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.95 0.405 . . . . 0.0 110.112 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.701 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -56.38 -29.83 61.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.143 179.101 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.3 m -69.27 -54.17 16.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.3 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.863 ' CB ' HG22 ' A' ' 33' ' ' ILE . 4.4 mm? -51.41 -54.39 27.14 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.648 0.261 . . . . 0.0 111.362 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.755 ' HA ' HD12 ' A' ' 49' ' ' ILE . 7.5 pttt -60.63 -55.16 36.62 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.853 0.359 . . . . 0.0 111.353 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.94 -32.93 73.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.879 0.371 . . . . 0.0 111.029 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -33.81 70.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.178 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 46' ' ' LYS . 2.0 mt -76.38 -32.73 22.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.587 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -69.18 -49.38 57.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.787 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -20.13 63.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.158 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.646 ' O ' HG22 ' A' ' 53' ' ' THR . 16.1 t80 -96.44 26.99 4.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.14 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.646 HG22 ' O ' ' A' ' 52' ' ' PHE . 7.9 t 51.02 172.97 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.596 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.07 99.7 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.7 p -140.96 -47.75 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.747 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.61 ' OXT' ' HB2' ' A' ' 26' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.146 -0.93 . . . . 0.0 110.826 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 29.2 m . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.544 0.211 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.4 p 54.04 38.83 29.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.367 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -133.49 167.33 20.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.8 mtpp -79.56 61.61 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.108 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 61.91 30.88 18.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.338 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.8 mt -121.85 115.65 47.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.3 mp -106.69 -65.81 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.961 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -179.2 -34.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.199 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 9' ' ' LEU . 3.9 mm? -87.56 -42.05 13.01 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.361 0.6 . . . . 0.0 109.431 179.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -36.98 4.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.287 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -66.26 -42.76 88.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.359 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.534 ' HB1' ' HB ' ' A' ' 42' ' ' VAL . . . -74.82 -42.99 56.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.878 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -62.89 -48.51 78.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.37 -45.35 93.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.31 -35.71 81.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.605 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -60.16 -42.47 94.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.987 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -77.46 -41.85 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.586 179.888 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.401 ' O ' ' HB ' ' A' ' 21' ' ' VAL . 34.4 tttm -63.2 -48.88 76.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.363 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -56.75 -45.61 81.92 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.748 HD13 HD11 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -59.37 -34.52 72.5 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.397 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 17' ' ' ILE . 60.2 t -67.05 -35.41 74.48 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.475 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.95 -22.43 27.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.415 ' HB2' ' HE2' ' A' ' 50' ' ' LYS . . . -100.68 -70.7 0.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.401 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.7 90.71 2.03 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.177 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.566 ' CG2' HG21 ' A' ' 49' ' ' ILE . 2.4 t -149.81 -171.21 3.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.955 0.407 . . . . 0.0 110.975 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.44 87.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.334 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.718 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.64 -28.86 6.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.052 179.754 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -43.66 -38.59 3.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.977 0.418 . . . . 0.0 111.08 179.774 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.601 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -59.93 -37.77 80.45 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.748 HD11 HD13 ' A' ' 20' ' ' LEU . 2.3 mm -63.98 -33.05 59.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.798 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 10.4 tptm -60.69 -31.24 70.5 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -31.64 61.58 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.534 178.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.611 HG22 ' HB2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -70.35 -29.53 39.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.676 -179.384 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.492 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -54.88 -33.14 61.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.954 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -99.69 -2.8 34.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.996 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.718 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -35.87 -35.4 0.06 Allowed 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 36' ' ' ALA . 6.7 mttm 66.68 -66.26 0.19 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.175 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.55 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -78.6 133.91 37.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.562 179.471 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.496 HG12 ' HE1' ' A' ' 43' ' ' TRP . 13.7 t -54.71 -49.81 65.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.493 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -47.4 82.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.179 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.574 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -55.46 -28.74 51.79 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.789 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.718 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -74.38 -49.66 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.719 -179.866 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.496 ' HE1' HG12 ' A' ' 39' ' ' VAL . 72.6 m95 -56.18 -28.78 59.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -75.09 -53.5 8.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.297 -179.717 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.611 ' HB2' HG22 ' A' ' 33' ' ' ILE . 91.4 mt -48.14 -49.12 33.39 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.332 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.583 ' HA ' HD12 ' A' ' 49' ' ' ILE . 6.6 ttmt -63.06 -55.55 24.53 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.164 0.507 . . . . 0.0 110.298 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -24.57 65.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.206 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 44' ' ' THR . 3.8 tm-20 -66.65 -46.71 74.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.765 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.601 HD11 ' HB3' ' A' ' 29' ' ' TYR . 1.1 mt -63.69 -43.23 98.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.725 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -60.46 -26.35 66.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.131 -179.797 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.6 p -89.61 -24.46 21.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.197 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -104.84 26.3 9.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.174 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.479 ' O ' ' O ' ' A' ' 54' ' ' VAL . 14.9 t -118.67 -159.81 0.77 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.479 ' O ' ' O ' ' A' ' 53' ' ' THR . 15.9 m 46.54 113.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 121.332 0.587 . . . . 0.0 112.431 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.6 m 70.44 153.96 0.12 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.016 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.863 -179.894 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 120.766 0.317 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.1 t 43.01 92.26 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.44 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -70.67 163.1 27.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.015 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.88 -169.47 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tp -172.54 117.37 0.34 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.042 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mt -90.91 118.35 35.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.048 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 mp -108.64 -58.01 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.044 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.519 ' CG ' HG11 ' A' ' 39' ' ' VAL . 3.4 t-20 -179.94 -35.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.077 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.68 -43.53 11.86 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.415 0.626 . . . . 0.0 109.405 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.52 -36.91 4.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.487 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -71.29 -38.89 71.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.328 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.955 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -74.39 -44.12 53.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.869 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -56.84 -51.29 69.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.83 -34.72 79.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.634 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.93 -43.79 82.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.71 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.522 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -59.2 -40.82 86.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 1.018 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -77.77 -42.34 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.558 179.679 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' HB ' ' A' ' 21' ' ' VAL . 16.9 ttpp -61.74 -48.72 79.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.394 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.78 -45.3 90.11 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.715 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -60.56 -35.29 75.69 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.673 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.018 HG23 ' O ' ' A' ' 17' ' ' ILE . 64.0 t -63.15 -35.33 71.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.868 178.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.23 -22.73 64.77 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.012 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -132.41 -83.28 0.49 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.548 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.587 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 151.77 -78.3 0.21 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.025 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.548 ' CG2' HG21 ' A' ' 49' ' ' ILE . 0.9 OUTLIER 42.75 -174.37 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.289 0.566 . . . . 0.0 112.224 179.289 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.46 97.63 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.151 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.715 ' HA ' HD21 ' A' ' 20' ' ' LEU . 14.4 tt0 -56.76 -29.3 62.47 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.668 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -46.15 -38.22 7.94 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.006 0.432 . . . . 0.0 111.125 179.824 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.561 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -57.61 -36.66 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.174 0.511 . . . . 0.0 109.863 179.122 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.71 HD11 HD13 ' A' ' 20' ' ' LEU . 2.5 mm -65.63 -39.84 86.18 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.547 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 11.0 tptm -51.53 -30.99 22.42 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.34 -31.88 60.71 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.81 178.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.676 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -63.47 -29.86 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.033 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.481 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -57.43 -35.94 70.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 110.765 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.8 -2.81 57.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.121 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.643 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -40.12 -31.73 0.14 Allowed 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.51 -70.49 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.918 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.425 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 76.0 p -79.63 -179.46 6.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.359 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.519 HG11 ' CG ' ' A' ' 8' ' ' ASN . 34.8 m -88.79 -46.29 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 111.392 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.495 ' N ' HG23 ' A' ' 39' ' ' VAL . 1.4 mt-10 -58.4 -45.82 87.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.281 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.88 -28.01 57.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.965 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.643 HG22 ' CB ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -76.77 -52.88 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.324 . . . . 0.0 110.825 -179.859 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.955 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -56.68 -29.29 62.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.747 179.719 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.431 HG22 ' HG3' ' A' ' 48' ' ' GLU . 23.1 m -73.61 -48.96 28.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.249 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 33' ' ' ILE . 70.0 mt -53.89 -52.14 61.47 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.489 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.725 ' HA ' HD12 ' A' ' 49' ' ' ILE . 4.0 pttp -61.41 -53.2 59.61 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.891 0.377 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.69 -30.27 71.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' HG3' HG22 ' A' ' 44' ' ' THR . 1.5 mm-40 -61.51 -34.53 75.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.452 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.4 mt -76.46 -33.77 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.708 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -66.65 -40.81 88.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.1 m -70.65 -38.22 73.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.977 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -172.47 178.71 2.68 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.688 ' O ' HG13 ' A' ' 54' ' ' VAL . 38.5 p -145.0 -82.92 0.15 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.673 0.273 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.688 HG13 ' O ' ' A' ' 53' ' ' THR . 1.5 m -164.6 149.18 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 120.953 0.406 . . . . 0.0 110.949 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.2 p -127.87 141.68 51.49 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.88 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.798 0.332 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 m -114.01 104.25 11.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -156.37 93.1 1.37 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.08 36.67 4.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 68.85 -67.66 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.037 179.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.9 mt -58.64 88.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.147 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.475 ' O ' ' CB ' ' A' ' 8' ' ' ASN . 2.3 tp -131.71 146.98 52.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 0.9 OUTLIER 85.42 -16.64 0.46 Allowed 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.331 -179.8 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.9 mm? -87.89 -39.76 14.53 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.7 -36.56 3.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.959 178.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -74.32 -42.13 59.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.146 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.919 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -64.67 -46.24 83.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.637 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -63.32 -40.98 98.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.507 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -70.13 -34.11 72.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.132 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.408 ' OE1' ' CZ2' ' A' ' 43' ' ' TRP . 25.1 tt0 -76.95 -35.2 57.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.45 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.5 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -60.19 -49.32 78.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.617 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.898 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.7 tp -67.09 -47.47 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.11 0.481 . . . . 0.0 110.571 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.449 ' N ' HG23 ' A' ' 17' ' ' ILE . 8.8 ttmm -54.08 -48.7 70.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.705 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -58.26 -44.46 88.38 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.823 HD13 ' CD1' ' A' ' 30' ' ' ILE . 0.4 OUTLIER -61.66 -38.08 86.42 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.528 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 17' ' ' ILE . 44.3 t -62.53 -35.19 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.196 179.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -70.87 -20.2 62.55 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.03 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.89 -83.86 0.55 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.504 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . 153.62 -79.97 0.19 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.293 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.608 HG21 HG21 ' A' ' 49' ' ' ILE . 5.8 t 40.33 -163.6 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.74 109.51 14.22 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.553 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.674 ' HA ' HD21 ' A' ' 20' ' ' LEU . 2.1 pp20? -63.0 -28.6 70.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.233 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -47.23 -28.81 2.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.047 0.451 . . . . 0.0 110.184 179.239 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.615 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -62.63 -36.53 83.1 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.864 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.823 ' CD1' HD13 ' A' ' 20' ' ' LEU . 1.1 mp -62.96 -40.76 90.19 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 177.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -53.71 -31.04 46.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.443 178.321 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.92 -31.99 45.46 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.061 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.772 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -75.26 -29.8 21.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.522 -179.42 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.438 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -55.12 -29.29 57.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 110.939 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -105.84 -2.79 22.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.158 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.651 ' HB3' HG22 ' A' ' 42' ' ' VAL . . . -37.63 -33.37 0.07 Allowed 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? 67.04 -70.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.807 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -73.47 137.37 44.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.579 179.652 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 40' ' ' GLU . 18.1 m -53.62 -46.66 61.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.508 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.469 ' N ' HG23 ' A' ' 39' ' ' VAL . 1.8 tt0 -60.85 -45.46 94.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.122 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.536 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -57.28 -24.84 53.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.817 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.651 HG22 ' HB3' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -83.32 -53.11 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.916 0.389 . . . . 0.0 110.785 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.919 ' CZ3' ' HB2' ' A' ' 12' ' ' ALA . 0.8 OUTLIER -58.95 -31.76 69.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.798 179.851 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' GLU . 15.1 t -76.14 -40.58 52.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.26 -179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.772 ' CB ' HG22 ' A' ' 33' ' ' ILE . 30.0 mt -56.81 -52.2 65.97 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.84 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.725 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.96 -52.67 63.1 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.925 0.393 . . . . 0.0 110.695 179.578 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.38 -31.18 71.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.711 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' THR . 14.1 tt0 -59.02 -35.24 72.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.178 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 46' ' ' LYS . 2.1 mt -74.79 -35.63 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.517 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -70.17 -43.07 71.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.949 HG22 HG22 ' A' ' 54' ' ' VAL . 3.9 m -81.08 -27.48 35.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.1 t80 63.16 26.15 15.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.073 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 57.75 87.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.949 HG22 HG22 ' A' ' 51' ' ' THR . 5.5 m -133.4 99.6 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.572 ' O ' HG22 ' A' ' 55' ' ' THR . 55.2 m -141.46 43.53 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.773 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.243 -0.885 . . . . 0.0 110.947 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.823 0.344 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -160.18 136.35 8.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.979 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -92.78 172.23 8.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.708 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -120.76 -3.03 9.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.507 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 61.76 -167.69 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.861 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.64 HG23 HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -63.24 94.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.178 179.668 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 7' ' ' LEU . 2.6 tm? -109.14 -48.94 3.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.741 0.305 . . . . 0.0 111.054 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -144.79 78.55 1.57 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.167 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.64 HD23 HG23 ' A' ' 6' ' ' ILE . 4.3 mm? -87.81 -43.38 11.89 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -45.12 -36.69 3.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.359 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.84 -44.96 72.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.099 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . . . -67.76 -46.16 72.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.573 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -62.16 -51.4 67.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.561 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -62.42 -36.49 82.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.414 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.8 -33.3 66.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.438 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.429 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -58.59 -49.33 77.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.685 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.961 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.6 tp -64.36 -46.14 93.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.181 0.515 . . . . 0.0 110.357 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.407 ' N ' HG23 ' A' ' 17' ' ' ILE . 0.6 OUTLIER -55.69 -48.69 74.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.503 179.519 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.89 -44.92 78.65 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.841 HD21 ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -62.91 -34.2 76.93 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 177.417 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.961 HG23 ' O ' ' A' ' 17' ' ' ILE . 38.3 t -70.79 -35.27 59.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.767 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.34 -26.43 55.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.246 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.77 -79.24 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 111.295 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.19 59.02 0.3 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.315 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.684 ' CG2' HG21 ' A' ' 49' ' ' ILE . 13.9 t -107.48 175.99 5.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.948 0.404 . . . . 0.0 111.016 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.62 99.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.398 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.892 ' O ' HG22 ' A' ' 30' ' ' ILE . 3.7 mt-10 -54.02 -29.24 42.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.38 -34.19 1.21 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.134 0.492 . . . . 0.0 110.338 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.532 ' HB3' HD11 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -72.52 -43.76 63.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.241 179.232 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.892 HG22 ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -60.1 -32.75 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.129 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -66.88 -32.13 73.19 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.592 178.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.51 -31.64 72.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.565 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.775 HG22 ' CB ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -76.11 -29.49 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.354 -179.767 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.457 ' N ' HG13 ' A' ' 33' ' ' ILE . . . -36.77 -44.56 0.49 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.961 0.41 . . . . 0.0 111.525 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.11 -30.78 8.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.305 179.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.732 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . 40.29 -113.86 0.17 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.85 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.2 tttt 178.26 -39.59 0.01 OUTLIER 'General case' 0 C--O 1.23 0.073 0 CA-C-O 121.071 0.463 . . . . 0.0 110.09 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.778 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -149.08 171.63 16.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.31 179.795 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -54.93 -54.79 20.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.269 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.06 -41.47 99.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.804 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -53.12 -33.33 44.8 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.537 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 38' ' ' THR . 2.1 t -78.47 -50.63 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.874 0.369 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.418 ' CE2' ' HB2' ' A' ' 12' ' ' ALA . 92.7 m95 -57.11 -33.91 67.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.451 HG22 ' O ' ' A' ' 41' ' ' GLY . 14.8 t -74.97 -35.03 62.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.804 ' HG ' ' O ' ' A' ' 41' ' ' GLY . 83.3 mt -60.44 -53.04 62.29 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.122 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.71 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.85 -51.4 68.38 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.951 0.405 . . . . 0.0 110.334 179.32 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -62.86 -29.41 70.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.656 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 44' ' ' THR . 6.5 mt-10 -60.1 -37.49 80.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.301 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 46' ' ' LYS . 1.3 mt -73.95 -34.71 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.615 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -63.41 -31.63 72.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.9 m -101.91 -34.53 9.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.244 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -97.25 29.95 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.142 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 49' ' ' ILE . 16.4 p -46.67 131.61 11.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.24 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.4 m -56.74 -22.21 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.599 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 m -64.35 80.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.8 0.333 . . . . 0.0 110.968 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.054 179.942 . . . . . . . . 0 0 . 1 stop_ save_