data_2hi3_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 2hi3 _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' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.05 0.354 . . . . 0.0 112.552 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.06 172.41 13.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.825 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -56.21 -43.3 78.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.375 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -56.95 -34.21 67.8 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.062 0.458 . . . . 0.0 110.888 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -73.38 -36.15 66.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.83 -177.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.3 t -61.25 -31.77 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.473 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -65.9 -44.73 84.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.562 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 11.8 mt -73.49 -33.91 41.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.074 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.48 ' HG ' ' CE3' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -68.95 -44.39 73.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.486 -179.591 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -40.34 94.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.805 0.336 . . . . 0.0 110.979 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.409 ' CE2' ' HE2' ' A' ' 23' ' ' LYS . 88.3 t80 -62.58 -44.85 95.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.676 176.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -61.94 -47.26 85.69 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.637 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.406 ' CE1' ' HB2' ' A' ' 54' ' ' ARG . 57.3 t80 -54.35 -42.41 70.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.071 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -82.33 -7.39 59.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.524 -176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HE2' ' CE2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -115.44 -28.14 6.95 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -174.272 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 CA--C 1.536 0.405 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.491 -177.919 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo . . . . . 0 C--O 1.234 0.318 0 CA-C-O 120.967 0.32 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -43.46 95.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.541 0.686 . . . . 0.0 110.51 178.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.475 ' O ' HG12 ' A' ' 36' ' ' ILE . 13.4 m -62.77 -46.26 88.84 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.78 -178.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 tp -55.39 -54.08 48.16 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -174.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.9 m -58.59 -44.93 90.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.493 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.68 -47.57 62.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.716 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 32' ' ' THR . 27.7 pt -72.63 -31.13 36.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.236 -176.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.42 96.74 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 120.802 0.334 . . . . 0.0 110.702 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.4 95.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.73 -28.64 60.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.85 -22.58 49.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.805 0.336 . . . . 0.0 110.863 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.98 30.94 7.97 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.995 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 69.3 mt -136.47 -167.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.02 173.81 7.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.159 174.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.75 -47.1 80.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 0.0 110.869 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.3 -49.33 44.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.944 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -72.3 -38.2 68.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.0 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.416 HG23 HD11 ' A' ' 17' ' ' LEU . 5.6 m -67.86 -41.52 82.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.885 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -62.48 -46.63 87.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.312 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.36 -34.46 73.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.539 -178.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.48 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 72.0 t90 -82.34 -49.42 10.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.981 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.35 -40.24 74.17 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.738 0.304 . . . . 0.0 111.072 -177.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -66.18 -31.96 73.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.273 -0.421 . . . . 0.0 112.002 -176.824 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.475 ' HB2' HE21 ' A' ' 53' ' ' GLN . 0.0 OUTLIER -73.18 -31.35 64.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.374 -178.193 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.406 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -76.99 -25.46 52.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.188 178.234 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -55.27 -44.5 75.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.753 177.9 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.48 -46.49 85.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.997 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 . . . . . 0 C--O 1.234 0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.677 -179.44 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo . . . . . 0 N--CA 1.463 -0.321 0 CA-C-O 120.994 0.331 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.411 ' O ' HG22 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -72.23 162.55 29.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.245 -177.506 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.58 -44.13 56.71 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -174.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -71.29 -33.75 70.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.819 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -73.12 -35.26 66.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.254 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 10' ' ' THR . 55.5 t -61.95 -30.95 49.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.324 177.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -47.63 77.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.152 0.501 . . . . 0.0 110.164 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.45 HG22 ' HB1' ' A' ' 40' ' ' ALA . 14.1 mt -63.01 -33.74 62.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.099 176.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.419 HD12 HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER -71.68 -49.6 38.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.717 -178.324 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.516 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -58.04 -41.47 83.3 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.873 -178.19 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.434 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 7.7 t80 -65.25 -49.22 70.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.167 177.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -62.43 -56.46 17.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.165 -176.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.461 ' CB ' ' HZ3' ' A' ' 50' ' ' TRP . 44.9 t80 -55.01 -33.15 62.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.826 -174.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -76.92 -17.49 58.89 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.703 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 19' ' ' TYR . 2.6 mmmt -117.34 -44.71 2.76 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -171.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.425 HG21 HG21 ' A' ' 32' ' ' THR . 6.5 p . . . . . 0 CA--C 1.533 0.309 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -170.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo . . . . . 0 C--O 1.232 0.194 0 N-CA-C 112.665 0.217 . . . . 0.0 112.665 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -50.88 63.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.061 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.494 ' O ' HG12 ' A' ' 36' ' ' ILE . 53.6 m -62.44 -45.71 91.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.456 ' CD1' ' HB ' ' A' ' 47' ' ' THR . 0.8 OUTLIER -57.53 -42.01 82.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.923 -174.007 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 68.2 m -66.82 -41.4 87.58 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.644 HD11 HG22 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -76.37 -42.62 44.05 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.167 -0.613 . . . . 0.0 111.249 -177.805 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.644 HG22 HD11 ' A' ' 35' ' ' LEU . 6.3 pt -67.04 -33.19 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.369 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -62.71 -45.89 90.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.139 0.495 . . . . 0.0 109.89 176.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.86 -38.78 92.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.926 177.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 35' ' ' LEU . 11.1 mm-40 -59.89 -40.32 88.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.834 177.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.45 ' HB1' HG22 ' A' ' 16' ' ' ILE . . . -79.65 -19.69 48.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.324 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.07 25.22 49.73 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.103 -0.57 . . . . 0.0 111.921 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.808 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -127.02 166.8 16.89 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.172 -0.306 . . . . 0.0 110.172 -175.461 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -79.59 156.45 27.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.009 0.433 . . . . 0.0 111.919 -174.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -63.35 -45.77 89.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.694 -170.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -59.69 -44.06 93.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.614 -173.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.808 ' HB2' HD11 ' A' ' 42' ' ' LEU . 2.1 mt-30 -65.76 -34.96 79.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.852 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.499 HG21 HD13 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -65.35 -49.11 70.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.757 0.313 . . . . 0.0 110.784 178.81 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -65.46 -42.23 92.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.04 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -59.87 -42.08 92.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.499 177.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.655 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . 63.7 t90 -69.63 -44.84 69.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -57.88 -31.98 67.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.113 0.483 . . . . 0.0 109.885 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -76.92 -42.24 40.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.228 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.655 ' HG2' ' HA ' ' A' ' 50' ' ' TRP . 0.6 OUTLIER -65.48 -33.46 75.98 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.006 0.431 . . . . 0.0 110.304 -178.734 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.474 ' HG3' ' CH2' ' A' ' 50' ' ' TRP . 7.3 mmt180 -79.81 -25.99 40.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.69 178.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.1 tp -62.3 -40.95 97.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.189 0.519 . . . . 0.0 109.78 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.21 -39.97 82.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.488 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.997 179.024 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.427 ' HB2' HG21 ' A' ' 14' ' ' VAL . 5.6 Cg_exo . . . . . 0 N--CA 1.458 -0.598 0 CA-C-O 121.09 0.371 . . . . 0.0 111.966 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.62 170.12 17.01 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.489 178.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -53.02 -46.6 68.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -175.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -71.66 -29.31 64.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.964 0.411 . . . . 0.0 110.489 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.404 ' NE2' ' HG ' ' A' ' 42' ' ' LEU . 18.3 mm100 -73.2 -38.91 65.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.701 177.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.427 HG21 ' HB2' ' A' ' 9' ' ' PRO . 73.8 t -64.35 -28.57 45.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.226 0.536 . . . . 0.0 109.758 176.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -61.35 -49.16 78.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.04 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.655 HG23 ' HB2' ' A' ' 40' ' ' ALA . 15.2 mt -69.35 -33.89 59.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.35 177.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.93 -49.68 55.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.591 -177.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.535 ' HG2' ' HZ2' ' A' ' 50' ' ' TRP . 8.5 mm-40 -61.1 -41.3 96.41 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.827 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.469 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -61.99 -39.39 92.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.175 177.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.07 -55.61 9.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.698 -177.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.475 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 21.7 t80 -56.6 -33.51 66.31 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.035 0.445 . . . . 0.0 110.685 -177.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -79.87 -12.03 59.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -105.01 -55.04 2.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.665 -175.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.33 -0.258 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -175.126 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo . . . . . 0 C--O 1.234 0.275 0 CA-C-O 120.977 0.324 . . . . 0.0 111.968 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.59 -41.09 89.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.03 179.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.486 HG23 HG23 ' A' ' 36' ' ' ILE . 5.8 m -72.99 -45.5 57.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.872 -177.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.479 HD12 ' HB2' ' A' ' 48' ' ' GLN . 13.8 mt -55.13 -62.07 1.9 Allowed 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -170.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.1 m -69.57 -26.88 64.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -174.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.3 mt -77.3 -48.67 16.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.771 0.32 . . . . 0.0 111.273 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.486 HG23 HG23 ' A' ' 32' ' ' THR . 3.2 pt -74.36 -25.07 19.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.037 -178.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -61.93 -36.5 81.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.418 176.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.13 -40.71 86.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.605 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.75 -33.4 73.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.06 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.655 ' HB2' HG23 ' A' ' 16' ' ' ILE . . . -87.84 -22.64 24.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.726 -178.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.8 35.95 14.86 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.93 -177.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.465 HD21 ' HA ' ' A' ' 42' ' ' LEU . 10.1 mt -123.33 -179.42 4.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 -177.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.0 p -110.35 164.8 12.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.245 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.74 -48.75 78.72 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -176.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.42 -49.24 76.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.603 -175.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -62.22 -45.55 92.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.6 m -67.87 -40.16 83.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.437 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.479 ' HB2' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -64.53 -46.18 83.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.148 -177.853 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -62.89 -41.11 99.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.402 . . . . 0.0 110.717 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.535 ' HZ2' ' HG2' ' A' ' 18' ' ' GLU . 80.2 t90 -65.55 -49.93 67.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.067 -178.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.475 ' CD2' ' HD2' ' A' ' 21' ' ' PHE . 5.2 m-85 -57.56 -43.22 84.33 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.952 0.406 . . . . 0.0 110.287 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -35.14 79.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.246 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.14 -30.71 69.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.832 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.406 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 1.7 mmp_? -78.76 -26.78 44.57 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.944 0.402 . . . . 0.0 110.012 176.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.25 -31.11 71.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.328 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.83 -33.75 72.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.437 175.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.99 -179.005 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo . . . . . 0 C--O 1.234 0.311 0 CA-C-O 120.952 0.313 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -79.99 174.58 11.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.824 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -45.7 80.7 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.808 0.337 . . . . 0.0 111.509 -176.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -63.63 -36.42 83.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.006 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -72.02 -40.78 68.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.202 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.3 t -60.27 -37.36 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.144 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.29 -51.16 70.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.603 176.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.44 HG21 ' HB1' ' A' ' 40' ' ' ALA . 28.7 mt -65.26 -40.08 87.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.936 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.1 mt -69.39 -47.86 62.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.55 -177.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.429 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 2.1 mm-40 -56.91 -47.59 80.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 111.083 -177.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.59 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 7.3 t80 -55.62 -41.74 73.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.579 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -73.92 -46.85 41.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.263 -177.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.674 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 41.6 t80 -58.17 -40.32 81.14 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.069 0.461 . . . . 0.0 111.564 -178.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -85.05 -9.04 58.4 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.356 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.59 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -110.24 8.61 23.66 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -177.674 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.328 -0.359 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.024 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo . . . . . 0 C--O 1.235 0.325 0 CA-C-O 121.328 0.47 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -41.74 84.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.837 178.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.755 HG23 HG21 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -61.43 -48.75 79.74 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.971 -178.139 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.592 HD12 ' HG2' ' A' ' 48' ' ' GLN . 26.4 mt -57.86 -37.8 74.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -177.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.0 m -75.59 -52.2 11.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.82 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.678 ' HG ' HG23 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -78.1 -49.43 13.94 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -170.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.755 HG21 HG23 ' A' ' 32' ' ' THR . 0.8 OUTLIER -77.24 -25.38 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 120.65 -0.42 . . . . 0.0 112.073 -171.448 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -63.56 -40.73 97.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.019 0.438 . . . . 0.0 109.928 177.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.17 -28.67 65.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.795 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.67 -36.75 60.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.921 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.44 ' HB1' HG21 ' A' ' 16' ' ' ILE . . . -88.31 -10.91 47.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.405 -178.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.25 27.42 66.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.973 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mt -105.88 146.7 29.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.7 0.286 . . . . 0.0 110.325 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.32 169.96 15.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.979 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.28 -44.17 68.07 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.21 -174.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.477 ' H ' ' HG3' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -64.41 -43.77 93.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.431 -177.542 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -60.6 -50.91 71.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.503 -175.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.82 -47.26 81.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.305 -176.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.592 ' HG2' HD12 ' A' ' 33' ' ' LEU . 35.8 mt-30 -63.21 -48.94 76.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.949 0.404 . . . . 0.0 111.064 -178.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 6.2 tptp -59.88 -47.29 86.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.288 -176.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.674 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 89.2 t90 -66.85 -51.85 50.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.322 -177.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -56.06 -44.92 79.36 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.02 0.438 . . . . 0.0 110.481 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -68.75 -32.71 72.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.249 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.459 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -69.47 -37.23 77.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.465 -179.297 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 50' ' ' TRP . 14.0 mmm180 -72.94 -28.9 62.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.616 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.34 -36.07 81.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.358 0.599 . . . . 0.0 110.003 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.65 -44.49 50.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.072 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.417 ' OE1' ' HD2' ' A' ' 54' ' ' ARG . 86.8 mt-10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.72 -177.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo . . . . . 0 N--CA 1.458 -0.615 0 CA-C-O 120.989 0.329 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -178.36 2.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.393 -178.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -41.38 83.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.78 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -34.66 77.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.479 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -72.3 -43.17 64.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.804 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.469 ' O ' HG11 ' A' ' 14' ' ' VAL . 43.5 t -60.99 -27.93 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.166 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -63.25 -46.5 86.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.145 0.497 . . . . 0.0 110.158 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.0 mt -70.36 -45.82 73.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.05 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.609 HD13 HG21 ' A' ' 47' ' ' THR . 0.2 OUTLIER -60.95 -49.36 77.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.036 -176.331 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.412 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 3.0 tp10 -61.06 -40.28 93.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.594 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -64.07 -49.06 73.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.011 176.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -54.58 -60.84 2.81 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.317 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.457 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 18.7 t80 -56.48 -44.05 80.22 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.334 0.396 . . . . 0.0 111.467 -174.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -73.98 -20.3 60.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.848 -174.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.2 29.67 6.03 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -173.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 CA--C 1.535 0.401 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 171.773 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo . . . . . 0 CA--C 1.529 0.258 0 N-CA-C 112.742 0.247 . . . . 0.0 112.742 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -49.18 78.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.769 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.478 ' O ' HG12 ' A' ' 36' ' ' ILE . 27.5 m -62.27 -44.02 97.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.229 178.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 48' ' ' GLN . 6.2 mt -62.94 -36.67 84.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.066 -174.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.1 m -68.0 -44.11 77.33 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.421 HD12 HG23 ' A' ' 36' ' ' ILE . 0.4 OUTLIER -71.85 -37.18 70.29 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.367 -176.762 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 32' ' ' THR . 33.1 pt -71.06 -37.17 66.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.794 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.94 94.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.999 0.428 . . . . 0.0 110.261 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.24 84.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.904 177.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.412 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 2.1 mm-40 -71.56 -40.35 70.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.09 -22.36 60.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.098 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.25 32.08 40.12 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.696 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.733 HD23 ' HG1' ' A' ' 47' ' ' THR . 0.3 OUTLIER -131.37 156.92 44.71 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -177.451 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.547 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 4.1 p -72.47 144.17 48.16 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.36 -174.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -51.3 -43.53 61.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.47 -175.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -54.77 -45.81 74.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.469 -177.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -66.8 -41.66 87.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.476 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.733 ' HG1' HD23 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -61.06 -48.29 82.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.09 0.471 . . . . 0.0 110.647 177.422 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.419 ' HA ' HD22 ' A' ' 33' ' ' LEU . 32.8 tt0 -63.34 -44.37 95.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.858 -178.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -44.76 95.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.733 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.457 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 74.1 t90 -64.21 -47.12 80.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.79 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -59.96 -38.28 82.04 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.028 0.442 . . . . 0.0 110.154 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -30.4 70.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.498 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -37.28 80.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.712 0.291 . . . . 0.0 110.452 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.82 -18.73 58.22 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.528 -178.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.99 -33.93 71.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.332 -179.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.34 -37.05 63.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.121 0.486 . . . . 0.0 110.691 178.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.96 -177.352 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.828 0.262 . . . . 0.0 112.116 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.26 169.49 18.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.743 177.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.68 -44.24 77.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 110.95 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -35.04 79.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.856 179.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -72.9 -41.45 64.62 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.269 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.27 -34.42 66.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.399 177.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -58.08 -52.04 67.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.399 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.517 HG23 ' HB3' ' A' ' 40' ' ' ALA . 5.5 mt -63.07 -38.34 81.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.056 0.455 . . . . 0.0 110.254 177.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.45 HD12 ' HE1' ' A' ' 51' ' ' PHE . 0.2 OUTLIER -62.72 -49.99 72.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.244 -178.505 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.473 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 2.0 tt0 -68.37 -37.55 80.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.816 -177.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -64.06 -42.53 96.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.682 177.043 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -68.14 -44.9 75.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.682 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.452 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 34.4 t80 -55.05 -44.27 74.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.476 178.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -73.15 -34.32 66.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.226 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -79.18 -40.29 31.22 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -175.332 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.9 t . . . . . 0 C--N 1.329 -0.287 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -176.218 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo . . . . . 0 N--CA 1.465 -0.169 0 CA-C-O 120.611 0.171 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -43.64 89.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.094 0.474 . . . . 0.0 110.617 178.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.708 HG22 HG22 ' A' ' 36' ' ' ILE . 85.1 m -61.88 -37.21 83.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.355 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -55.23 -46.6 75.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.857 -174.086 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 m -61.15 -47.6 85.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.81 -176.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 32' ' ' THR . 0.3 OUTLIER -73.18 -42.76 62.39 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.735 -174.701 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.708 HG22 HG22 ' A' ' 32' ' ' THR . 46.7 pt -69.16 -29.28 42.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.139 -178.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.67 -42.32 91.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.992 0.425 . . . . 0.0 110.2 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.34 -34.41 74.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.477 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -70.99 -28.72 64.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.517 ' HB3' HG23 ' A' ' 16' ' ' ILE . . . -97.18 0.11 47.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.47 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.91 41.06 99.96 Favored Glycine 0 C--N 1.33 0.222 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.795 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.73 HD12 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -141.17 173.04 11.87 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -176.855 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.616 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 7.4 p -88.09 152.3 22.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.841 0.353 . . . . 0.0 111.927 -175.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.79 -46.24 91.28 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.145 -175.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.487 ' HG2' ' N ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -56.64 -38.14 71.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.173 -176.834 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.73 ' HB2' HD12 ' A' ' 42' ' ' LEU . 3.6 mm100 -72.3 -36.16 68.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.586 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -49.79 69.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.099 0.476 . . . . 0.0 110.178 179.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.433 ' HB2' HD21 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -61.11 -46.8 89.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.966 -178.651 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -38.44 89.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.364 -178.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.473 ' HH2' ' HA ' ' A' ' 18' ' ' GLU . 84.5 t90 -74.42 -49.98 20.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.452 ' CE2' ' HA ' ' A' ' 21' ' ' PHE . 10.2 m-85 -57.5 -41.81 81.5 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.035 0.445 . . . . 0.0 110.725 -177.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -31.43 72.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.201 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.411 HE21 ' HB2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -72.45 -33.54 67.12 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.122 -0.231 . . . . 0.0 110.781 -177.746 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -71.83 -26.54 62.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.752 0.31 . . . . 0.0 110.983 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -43.59 72.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.63 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.81 -32.59 62.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.522 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.686 -175.544 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo . . . . . 0 C--O 1.235 0.357 0 CA-C-O 121.174 0.406 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.36 -179.31 7.37 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.674 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.98 -50.01 67.51 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -174.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -33.94 75.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.087 0.47 . . . . 0.0 110.578 -177.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -68.85 -40.72 79.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.352 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.9 t -62.92 -37.47 79.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.869 175.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -59.72 -47.86 83.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.354 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.791 HG23 ' HB3' ' A' ' 40' ' ' ALA . 50.2 mt -63.17 -37.38 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.397 176.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.446 HD11 ' HA ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.15 -50.81 62.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.189 -178.231 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -59.23 -46.41 88.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.717 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -57.68 -47.6 81.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.305 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -65.57 -49.29 69.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.338 -176.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.579 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 32.3 t80 -58.37 -43.03 88.24 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.54 0.209 . . . . 0.0 110.538 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -63.58 -27.33 69.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -87.57 -26.99 22.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.638 -177.386 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -177.742 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.756 ' HA ' HD11 ' A' ' 33' ' ' LEU . 4.7 Cg_exo . . . . . 0 N--CA 1.461 -0.427 0 CA-C-O 120.818 0.258 . . . . 0.0 112.176 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -49.54 76.72 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -171.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.653 ' HA ' HD21 ' A' ' 35' ' ' LEU . 2.1 m -69.6 -28.61 66.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.841 0.353 . . . . 0.0 111.562 -177.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.756 HD11 ' HA ' ' A' ' 30' ' ' PRO . 37.5 mt -63.24 -41.32 99.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.339 -176.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.5 m -59.67 -49.87 76.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.03 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.653 HD21 ' HA ' ' A' ' 32' ' ' THR . 0.8 OUTLIER -67.71 -38.79 84.09 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.144 -176.571 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.604 HD12 HG23 ' A' ' 32' ' ' THR . 69.1 mt -69.61 -40.22 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.836 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.52 -48.69 80.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.829 0.347 . . . . 0.0 110.465 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.12 99.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.022 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.87 -46.91 87.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.322 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.791 ' HB3' HG23 ' A' ' 16' ' ' ILE . . . -79.54 -13.82 59.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.737 -176.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.91 29.48 60.86 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.998 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.52 ' CD1' ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -125.32 167.83 14.36 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -178.007 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.598 ' HB ' ' OE1' ' A' ' 45' ' ' GLU . 4.3 p -88.94 142.93 27.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.808 0.337 . . . . 0.0 111.337 -174.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -50.88 -38.74 51.34 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.74 -175.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.598 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 2.0 mp0 -54.14 -48.01 71.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.46 -177.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.52 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 7.5 mt-30 -73.05 -33.4 65.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.828 0.347 . . . . 0.0 110.716 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.02 -47.1 75.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.781 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.62 ' HA ' HD23 ' A' ' 33' ' ' LEU . 29.4 tt0 -59.55 -44.43 93.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.834 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -43.67 88.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.908 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.474 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 84.5 t90 -72.66 -49.94 28.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.242 -176.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.579 ' CD2' ' HD2' ' A' ' 21' ' ' PHE . 24.4 m-85 -62.98 -27.83 69.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.474 -177.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 3.5 tttp -66.52 -42.13 87.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.058 178.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -69.66 -28.32 65.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.784 -177.877 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.423 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 2.4 mmp_? -77.55 -36.08 52.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.283 177.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.469 HD21 ' HA ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -55.37 -41.56 72.78 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.144 177.422 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.26 -54.65 33.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.796 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.59 -176.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 CA-C-O 121.141 0.392 . . . . 0.0 112.581 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 p -78.76 167.66 20.87 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.241 177.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -56.3 -36.42 68.64 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -174.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -65.78 -38.54 89.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.249 0.547 . . . . 0.0 110.457 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.0 tp60 -73.63 -36.51 65.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.113 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.458 ' O ' HG11 ' A' ' 14' ' ' VAL . 16.5 t -64.7 -28.77 45.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.61 -49.4 62.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.85 177.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mt -68.09 -41.67 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.253 177.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.444 ' HB2' ' HA ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -58.29 -48.78 79.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.569 -177.858 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -62.39 -38.37 89.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.445 179.878 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -61.71 -47.27 86.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.049 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.421 ' O ' ' HB ' ' A' ' 24' ' ' VAL . 11.7 m120 -58.04 -53.49 57.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.333 177.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 39.4 t80 -61.22 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.337 . . . . 0.0 111.204 -177.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.2 m-80 -69.36 -38.34 78.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.717 0.294 . . . . 0.0 111.182 -177.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -83.69 -19.55 35.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.769 -177.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' A' ' 20' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 CA-C-O 121.2 0.524 . . . . 0.0 110.761 178.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 CA--C 1.527 0.159 0 CA-C-O 121.249 0.437 . . . . 0.0 111.414 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -41.53 95.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.678 176.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.614 ' HA ' HD23 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -61.63 -48.06 82.57 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.793 179.338 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.0 mt -55.14 -39.13 69.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.161 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.3 t -68.76 -51.31 42.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.304 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.614 HD23 ' HA ' ' A' ' 32' ' ' THR . 0.9 OUTLIER -70.83 -35.73 72.59 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -173.543 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.511 HG21 HG23 ' A' ' 32' ' ' THR . 7.4 pt -76.13 -35.2 27.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.884 -179.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.443 ' HB3' ' HG1' ' A' ' 47' ' ' THR . . . -65.51 -43.06 91.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.429 . . . . 0.0 110.285 178.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.79 -47.46 80.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.84 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -38.46 91.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.468 -178.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.72 -22.22 37.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.507 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.92 33.85 25.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.585 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 43' ' ' THR . 1.1 tp -125.91 153.25 44.49 Favored 'General case' 0 N--CA 1.434 -1.229 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -175.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.45 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -86.79 153.41 21.7 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.623 -0.431 . . . . 0.0 112.064 -175.337 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -51.33 -46.35 62.59 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 114.88 -1.055 . . . . 0.0 112.887 -175.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -55.49 -42.02 73.85 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.346 -176.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -72.5 -43.62 63.38 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.931 -177.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.443 ' HG1' ' HB3' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -59.1 -48.25 82.28 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.983 0.42 . . . . 0.0 110.78 178.877 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -38.0 89.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.188 -177.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -47.13 63.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.704 0.287 . . . . 0.0 110.968 -178.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -64.59 -46.69 81.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.69 -178.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -61.72 -37.9 85.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.34 . . . . 0.0 110.102 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.11 -37.38 87.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.099 178.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -42.21 98.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.02 0.438 . . . . 0.0 109.986 178.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.489 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 5.3 mmt180 -74.57 -31.0 61.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.334 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' A' ' 55' ' ' LEU . 16.4 mt -64.53 -38.03 89.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.037 175.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.26 -46.87 87.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.961 175.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.667 177.418 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.581 ' HB2' ' HB2' ' A' ' 13' ' ' GLN . 56.7 Cg_endo . . . . . 0 C--O 1.235 0.372 0 CA-C-O 120.78 0.242 . . . . 0.0 112.162 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.98 171.43 14.09 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.737 -177.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -53.05 -43.44 66.65 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.514 -176.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -45.62 81.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.778 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.581 ' HB2' ' HB2' ' A' ' 9' ' ' PRO . 28.5 mm100 -72.94 -35.43 66.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.858 -177.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.4 t -56.38 -35.34 43.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.487 178.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -46.19 82.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.443 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.414 HG22 ' HA ' ' A' ' 40' ' ' ALA . 21.5 mt -67.98 -33.84 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.539 0.685 . . . . 0.0 110.463 178.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.486 ' CD2' ' HG3' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -71.31 -49.23 44.82 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.844 -177.03 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 2.5 mt-10 -59.63 -41.43 90.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.3 -176.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -42.46 96.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 0.0 110.037 177.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -67.5 -51.44 51.07 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.801 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.601 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 32.8 t80 -58.06 -41.37 83.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.567 0.222 . . . . 0.0 110.595 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.6 t-20 -61.17 -41.88 97.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.061 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 3.42 47.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.356 -178.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.326 -0.426 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -176.319 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo . . . . . 0 N--CA 1.459 -0.527 0 N-CA-C 112.647 0.21 . . . . 0.0 112.647 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -50.01 67.95 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -170.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.427 ' O ' HG12 ' A' ' 36' ' ' ILE . 1.7 m -68.77 -28.85 67.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 111.52 -178.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.553 HD23 ' HG3' ' A' ' 48' ' ' GLN . 3.1 tp -67.58 -43.22 81.11 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -172.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -46.64 71.33 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.35 -45.58 31.42 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.488 -175.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 32' ' ' THR . 39.0 pt -67.09 -32.75 59.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.655 -175.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.33 -41.53 89.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.936 0.398 . . . . 0.0 110.207 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.0 -40.7 82.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.586 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.79 -30.11 70.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.45 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.414 ' HA ' HG22 ' A' ' 16' ' ' ILE . . . -85.02 -22.42 29.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.748 0.308 . . . . 0.0 110.703 177.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.93 31.54 59.88 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.18 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -135.13 165.18 25.99 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 -175.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.45 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 1.1 p -73.35 153.01 40.67 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.415 0.626 . . . . 0.0 112.112 -172.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -60.19 -43.86 95.54 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.157 -0.929 . . . . 0.0 112.335 -176.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -52.53 -49.45 64.82 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.31 0.381 . . . . 0.0 111.784 -175.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.434 ' HB2' HD11 ' A' ' 42' ' ' LEU . 1.4 mt-30 -67.13 -45.16 77.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.531 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -59.51 -45.32 92.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.137 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.553 ' HG3' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -65.44 -45.53 83.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.062 -178.198 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -63.14 -43.69 97.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.612 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.496 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 77.3 t90 -63.95 -48.46 76.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.193 -179.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.601 ' CD2' ' HD2' ' A' ' 21' ' ' PHE . 13.2 m-85 -64.63 -27.34 68.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.562 -178.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.11 -33.43 56.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.995 0.426 . . . . 0.0 110.344 176.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -63.85 -48.29 77.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.553 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.47 ' HG3' ' CH2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -67.44 -25.29 65.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.455 -179.701 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -38.51 91.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.994 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.4 80.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.462 ' HG3' ' HA ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.492 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.966 0.319 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.53 170.76 15.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.342 178.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -51.24 -44.02 61.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.065 0.459 . . . . 0.0 110.439 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -51.9 -51.62 55.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.12 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.49 ' HA ' HD13 ' A' ' 16' ' ' ILE . 29.7 mm100 -72.71 -35.25 67.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.925 -176.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.477 ' O ' HG12 ' A' ' 14' ' ' VAL . 28.2 t -63.56 -29.42 47.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.387 -179.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -66.7 -44.32 81.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.99 0.424 . . . . 0.0 110.319 177.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.49 HD13 ' HA ' ' A' ' 13' ' ' GLN . 12.1 mt -66.23 -33.47 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.681 0.753 . . . . 0.0 109.945 176.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -49.02 31.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.56 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.64 -44.11 85.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.259 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -40.46 94.84 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 177.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.22 -57.13 5.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.692 -175.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.427 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 25.2 t80 -54.96 -37.08 66.03 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -173.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.92 -7.12 58.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.221 -0.299 . . . . 0.0 111.762 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.46 -57.21 2.16 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -176.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.314 0 CA-C-O 120.542 0.21 . . . . 0.0 111.101 -175.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 C--O 1.234 0.305 0 CA-C-O 121.184 0.41 . . . . 0.0 112.275 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -45.38 94.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.616 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.22 -49.02 68.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.219 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.601 ' HB3' ' HG2' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -55.84 -52.41 64.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.531 -0.758 . . . . 0.0 112.048 -172.211 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.3 m -60.71 -41.7 95.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.874 0.368 . . . . 0.0 111.728 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 mt -77.91 -50.17 12.75 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -173.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.533 HG13 ' N ' ' A' ' 37' ' ' ALA . 1.4 pt -80.67 -32.92 13.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -171.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.533 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -64.08 -50.35 68.68 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.757 0.313 . . . . 0.0 110.801 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.3 -45.39 88.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.055 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -34.08 75.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.241 -178.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.434 ' HB3' HG23 ' A' ' 16' ' ' ILE . . . -72.74 -22.31 60.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.744 0.307 . . . . 0.0 110.75 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.18 23.01 11.78 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.857 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.9 mt -125.75 -177.5 3.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.0 p -113.94 168.29 9.92 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.19 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.601 ' HG2' ' HB3' ' A' ' 33' ' ' LEU . 1.6 mt-10 -60.21 -45.06 94.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.939 -175.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -63.74 -36.18 83.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.005 -174.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -70.52 -48.57 54.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.059 0.457 . . . . 0.0 110.673 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.413 ' HB ' ' CD1' ' A' ' 33' ' ' LEU . 2.6 m -69.6 -36.37 76.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.878 -176.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.87 -45.73 92.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.035 0.445 . . . . 0.0 110.536 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.69 -41.47 95.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.753 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.445 ' CH2' ' HG3' ' A' ' 54' ' ' ARG . 83.2 t90 -66.02 -48.7 70.29 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.419 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.427 ' CD2' ' HD2' ' A' ' 21' ' ' PHE . 3.7 m-85 -55.9 -42.97 76.82 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 120.958 0.409 . . . . 0.0 110.05 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -36.87 85.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.293 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.508 ' HG2' ' HD3' ' A' ' 54' ' ' ARG . 10.0 tt0 -60.9 -46.93 88.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.618 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.508 ' HD3' ' HG2' ' A' ' 53' ' ' GLN . 1.5 mmt85 -73.76 -29.67 62.35 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.9 tp -60.99 -46.89 88.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.843 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.35 96.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.642 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.843 -179.634 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo . . . . . 0 N--CA 1.464 -0.24 0 CA-C-O 120.96 0.317 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.59 -179.5 7.15 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.001 -175.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.49 -40.23 65.2 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -173.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.86 -43.2 98.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.882 0.373 . . . . 0.0 110.97 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -73.3 -36.1 66.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.276 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.44 ' O ' HG12 ' A' ' 14' ' ' VAL . 12.4 t -59.36 -31.54 46.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.83 179.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.81 -43.64 97.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.959 0.409 . . . . 0.0 110.77 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.58 HG22 ' HB1' ' A' ' 40' ' ' ALA . 24.5 mt -75.88 -39.64 38.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.917 177.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -63.77 -49.75 71.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.588 -176.4 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.456 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.6 OUTLIER -60.58 -39.32 87.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.746 -177.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -65.93 -45.59 81.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.967 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.74 -50.96 70.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.323 -178.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.508 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 68.6 t80 -60.19 -37.42 80.17 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.644 0.259 . . . . 0.0 111.11 -178.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -70.9 -27.37 63.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.796 0.332 . . . . 0.0 110.91 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.86 -41.67 14.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.018 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 21' ' ' PHE . 33.8 m . . . . . 0 N--CA 1.467 0.378 0 CA-C-O 121.09 0.472 . . . . 0.0 110.654 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo . . . . . 0 N--CA 1.472 0.215 0 N-CA-C 113.255 0.444 . . . . 0.0 113.255 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -46.95 66.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.636 -178.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.515 HG23 HG21 ' A' ' 36' ' ' ILE . 18.2 m -61.75 -48.95 78.38 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.756 0.312 . . . . 0.0 110.485 176.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.6 HD13 ' HG3' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -58.2 -51.44 69.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.006 -173.823 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.6 m -59.99 -35.09 74.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.93 0.395 . . . . 0.0 111.428 -178.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.9 mt -77.37 -49.51 14.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.411 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.515 HG21 HG23 ' A' ' 32' ' ' THR . 10.2 pt -68.29 -25.42 31.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.198 -176.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.63 -52.3 66.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.078 0.466 . . . . 0.0 110.491 176.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.69 -36.85 85.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.68 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -36.22 82.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.778 177.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.58 ' HB1' HG22 ' A' ' 16' ' ' ILE . . . -79.23 -10.97 59.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.027 178.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.39 34.84 49.56 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.324 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.854 HD13 ' HB2' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -142.69 162.44 35.47 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -177.123 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.444 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -76.5 159.94 29.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.427 0.632 . . . . 0.0 112.401 -173.084 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.33 -49.2 78.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.734 -175.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.6 -43.22 97.67 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -173.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.854 ' HB2' HD13 ' A' ' 42' ' ' LEU . 2.0 mm100 -66.77 -37.89 85.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.875 0.369 . . . . 0.0 110.175 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 m -65.44 -43.0 91.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.549 176.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.6 ' HG3' HD13 ' A' ' 33' ' ' LEU . 3.4 tt0 -62.19 -51.47 67.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.871 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -54.96 -36.24 65.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.756 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.591 ' CH2' ' HG3' ' A' ' 54' ' ' ARG . 81.3 t90 -77.11 -51.18 11.48 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.509 -177.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.472 ' CD2' ' HD1' ' A' ' 21' ' ' PHE . 14.1 m-85 -63.03 -33.33 75.19 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.69 0.281 . . . . 0.0 110.567 -175.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -69.98 -36.46 75.21 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.995 0.426 . . . . 0.0 110.239 176.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -40.98 96.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.848 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.591 ' HG3' ' CH2' ' A' ' 50' ' ' TRP . 7.2 mmm180 -71.43 -26.11 62.6 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 120.753 0.311 . . . . 0.0 110.335 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.0 tp -67.92 -32.47 72.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.135 0.493 . . . . 0.0 110.095 177.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.34 -38.3 63.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.074 174.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.803 177.795 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo . . . . . 0 N--CA 1.461 -0.419 0 CA-C-O 121.194 0.414 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.37 -180.0 6.64 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.812 178.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.62 -46.04 77.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.959 0.409 . . . . 0.0 110.871 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -62.28 -40.56 96.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.747 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.451 ' HG3' ' CD1' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -71.64 -35.42 70.4 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.974 -177.211 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.445 ' O ' HG12 ' A' ' 14' ' ' VAL . 37.8 t -58.31 -31.28 42.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.588 177.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.73 -47.65 71.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.35 0.595 . . . . 0.0 110.317 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.781 HG22 ' HB1' ' A' ' 40' ' ' ALA . 36.8 mt -64.43 -34.06 66.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.468 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -71.78 -49.16 41.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.092 -179.788 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -59.54 -48.19 82.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.512 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.1 t80 -54.05 -43.51 70.29 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.982 0.42 . . . . 0.0 110.325 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -69.29 -59.35 3.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.895 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.447 ' CB ' ' HZ3' ' A' ' 50' ' ' TRP . 22.5 t80 -55.5 -41.16 72.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.796 -173.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -81.46 -5.79 58.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.707 0.289 . . . . 0.0 111.614 -176.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -104.27 -68.39 0.85 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.358 -178.452 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.234 0.265 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -172.724 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo . . . . . 0 C--O 1.232 0.198 0 CA-C-O 120.819 0.258 . . . . 0.0 112.046 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -47.09 85.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.925 179.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.44 -45.41 22.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.284 -177.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.489 HD13 ' HB2' ' A' ' 48' ' ' GLN . 17.0 mt -54.48 -62.41 1.67 Allowed 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -168.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.58 -32.1 72.61 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -173.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.607 ' HG ' HG22 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -75.58 -47.72 25.48 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.141 -0.223 . . . . 0.0 110.944 -175.781 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.607 HG22 ' HG ' ' A' ' 35' ' ' LEU . 1.4 pt -78.45 -25.46 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.082 -176.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.411 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -61.17 -50.39 73.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.721 0.296 . . . . 0.0 110.452 176.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.9 92.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.726 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.91 -39.52 79.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.022 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.781 ' HB1' HG22 ' A' ' 16' ' ' ILE . . . -90.39 15.41 10.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.047 -176.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 61.71 23.68 63.41 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.756 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.451 ' CD1' ' HG3' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -107.96 -178.76 3.7 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 122.77 0.428 . . . . 0.0 110.026 -178.499 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.02 164.31 16.32 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 174.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -55.63 -49.21 73.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.823 -175.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -61.04 -45.13 96.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.839 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -55.29 -53.17 59.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.574 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.559 HG22 HD12 ' A' ' 36' ' ' ILE . 1.6 m -62.86 -44.82 95.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.296 -177.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.489 ' HB2' HD13 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -66.33 -43.59 85.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.939 -178.161 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -63.88 -30.91 71.95 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.607 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 85.1 t90 -79.77 -48.98 12.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.435 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -54.71 -47.85 73.21 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.184 0.516 . . . . 0.0 110.561 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -29.96 69.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.563 -177.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.504 ' NE2' ' HA ' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -75.46 -32.57 60.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.742 -177.51 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.607 ' HG2' ' O ' ' A' ' 50' ' ' TRP . 10.6 mmm180 -80.56 -18.17 49.17 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.665 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -49.09 69.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.018 0.437 . . . . 0.0 110.876 178.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.4 -29.47 68.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.881 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.915 -179.337 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 C--O 1.233 0.252 0 CA-C-O 121.275 0.448 . . . . 0.0 113.011 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.79 168.94 19.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.617 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.22 -49.19 78.8 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -175.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -66.91 -29.81 69.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.161 0.505 . . . . 0.0 110.755 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -72.84 -37.58 67.37 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.008 175.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 14' ' ' VAL . 4.5 t -63.76 -30.33 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.823 178.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -55.39 -43.46 75.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 0.0 110.612 176.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.634 HG23 ' HB3' ' A' ' 40' ' ' ALA . 13.0 mt -67.02 -36.21 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.997 178.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.401 HD11 ' HE1' ' A' ' 51' ' ' PHE . 0.2 OUTLIER -68.79 -50.2 52.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.991 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.98 -37.93 86.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.9 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 72.9 t80 -65.67 -44.78 85.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.169 177.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.7 -48.35 72.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.39 -177.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.522 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 60.1 t80 -58.54 -36.64 74.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.978 0.418 . . . . 0.0 110.91 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -85.02 -12.49 53.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.969 0.414 . . . . 0.0 111.027 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 5.7 tmtt? -95.54 -36.65 11.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.172 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.466 0.342 0 CA-C-O 121.029 0.443 . . . . 0.0 110.698 177.751 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo . . . . . 0 N--CA 1.464 -0.252 0 N-CA-C 111.191 -0.349 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -37.09 79.34 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.051 176.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.523 HG23 HG23 ' A' ' 36' ' ' ILE . 17.0 m -61.09 -48.17 82.9 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.018 177.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.5 mt -55.9 -44.7 78.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.86 -177.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.0 m -72.75 -38.18 67.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.19 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.1 -48.01 54.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.803 0.335 . . . . 0.0 111.27 -177.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.523 HG23 HG23 ' A' ' 32' ' ' THR . 5.4 pt -69.27 -25.26 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.918 -178.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.538 ' HB2' ' HG1' ' A' ' 47' ' ' THR . . . -61.85 -52.93 62.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.868 0.366 . . . . 0.0 110.318 175.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.89 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.957 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -69.86 -45.31 68.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.012 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.634 ' HB3' HG23 ' A' ' 16' ' ' ILE . . . -80.45 -18.46 48.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.609 -177.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.06 29.49 17.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.913 -178.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 42' ' ' LEU . 13.4 mt -115.78 161.01 19.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.704 0.288 . . . . 0.0 110.463 -176.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.26 154.41 40.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.649 173.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -48.89 -45.21 40.84 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.57 172.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 4.4 mm-40 -63.96 -39.92 95.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.286 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -61.68 -49.02 78.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.028 -176.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.538 ' HG1' ' HB2' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -67.07 -48.72 67.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.794 -179.647 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -59.14 -47.72 84.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.224 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 4.3 mptt -61.89 -44.61 96.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.781 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.522 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 88.2 t90 -68.35 -52.29 34.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.301 -177.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.41 ' HD1' ' O ' ' A' ' 47' ' ' THR . 20.2 m-85 -58.81 -39.4 81.03 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.841 0.353 . . . . 0.0 110.512 -176.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -41.5 97.26 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.624 177.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.585 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -60.8 -43.89 97.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.42 -179.414 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.521 ' HG2' ' O ' ' A' ' 50' ' ' TRP . 9.6 mmm180 -71.32 -28.33 64.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.987 -177.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 tp -63.08 -44.96 94.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.044 0.45 . . . . 0.0 110.369 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.93 89.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.659 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' ' 53' ' ' GLN . 24.1 mt-10 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.754 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo . . . . . 0 N--CA 1.46 -0.49 0 CA-C-O 121.144 0.393 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.47 166.99 22.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.346 177.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -59.04 -39.3 81.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.854 0.359 . . . . 0.0 110.724 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -35.88 81.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.957 177.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.414 ' HG3' HD22 ' A' ' 17' ' ' LEU . 10.1 tp-100 -73.01 -37.68 66.87 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.863 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.84 -34.46 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.447 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -58.3 -40.56 82.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.096 0.474 . . . . 0.0 110.751 176.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.2 mt -73.96 -44.55 50.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.113 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -64.17 -49.72 70.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.015 -176.195 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.506 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.8 OUTLIER -59.61 -41.04 89.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.352 . . . . 0.0 110.984 -176.672 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.529 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -65.1 -47.73 76.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.865 177.43 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -65.0 -54.83 24.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.368 -175.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.459 ' CB ' ' HZ3' ' A' ' 50' ' ' TRP . 36.7 t80 -54.96 -43.25 73.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.811 -173.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.84 -13.11 59.24 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.701 -0.399 . . . . 0.0 111.07 -178.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 3.8 tmtt? -94.3 -63.41 1.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.748 -176.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.232 0.157 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.174 -173.757 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.456 -0.701 0 CA-C-O 120.997 0.332 . . . . 0.0 111.376 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -44.25 95.65 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.55 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.504 ' O ' HG12 ' A' ' 36' ' ' ILE . 29.5 m -61.8 -44.9 95.94 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.898 177.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.402 HD13 ' HB2' ' A' ' 48' ' ' GLN . 10.9 mt -55.35 -55.41 31.9 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.228 0.33 . . . . 0.0 111.198 -178.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.0 m -61.4 -42.15 98.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.285 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.1 -50.19 62.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.517 -177.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 32' ' ' THR . 20.7 pt -73.92 -27.35 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.526 -176.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -67.48 -40.21 85.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.004 0.43 . . . . 0.0 110.022 176.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.27 94.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.201 175.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.57 -48.66 74.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.523 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.51 -5.45 57.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.143 -175.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.14 45.32 56.66 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 121.118 -0.563 . . . . 0.0 113.087 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.834 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -146.94 168.85 20.46 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.086 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.551 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 3.2 p -87.07 143.27 27.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.958 0.408 . . . . 0.0 111.598 -175.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -53.21 -41.35 65.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.981 -174.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -44.15 79.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.424 -176.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.834 ' HB2' HD11 ' A' ' 42' ' ' LEU . 4.8 mt-30 -70.22 -35.6 73.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.337 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.402 ' CG2' HD11 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -61.81 -44.52 96.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.184 0.516 . . . . 0.0 110.099 175.892 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.402 ' HB2' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -64.81 -43.95 91.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.534 177.776 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -57.83 -43.12 85.61 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.462 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.588 ' CZ3' ' HG3' ' A' ' 54' ' ' ARG . 69.6 t90 -70.52 -47.04 62.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.8 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -56.05 -44.05 78.47 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.201 0.524 . . . . 0.0 110.13 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -40.9 97.37 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.455 -179.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.55 -32.43 73.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.887 0.375 . . . . 0.0 110.568 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.588 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 0.9 OUTLIER -73.67 -35.83 65.27 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.568 179.027 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.1 tp -53.64 -41.1 66.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.568 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.82 -49.33 47.53 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.988 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.412 -177.453 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo . . . . . 0 N--CA 1.456 -0.698 0 CA-C-O 120.755 0.231 . . . . 0.0 112.199 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.15 178.21 7.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.958 0.408 . . . . 0.0 111.357 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -56.96 -39.1 73.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.983 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -65.73 -36.33 83.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.114 0.483 . . . . 0.0 110.531 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -72.31 -35.72 68.73 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.191 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.66 -36.18 68.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.503 177.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.86 -46.66 84.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.904 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.587 HG23 ' HB2' ' A' ' 40' ' ' ALA . 0.9 OUTLIER -70.14 -42.05 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-O 121.01 0.434 . . . . 0.0 110.274 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -48.15 82.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.284 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.521 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 1.0 OUTLIER -59.64 -37.35 78.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.118 -177.832 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -64.14 -49.86 70.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.411 ' O ' HG13 ' A' ' 24' ' ' VAL . 79.5 m-20 -60.8 -57.61 11.94 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.366 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.403 ' CB ' ' HZ3' ' A' ' 50' ' ' TRP . 20.6 t80 -54.8 -40.64 69.7 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.351 0.407 . . . . 0.0 111.581 -173.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -70.18 -33.56 71.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.04 0.447 . . . . 0.0 111.254 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -45.79 9.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.19 -172.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.411 HG13 ' O ' ' A' ' 20' ' ' ASN . 6.7 p . . . . . 0 C--N 1.327 -0.378 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -172.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo . . . . . 0 CA--C 1.528 0.204 0 CA-C-O 120.725 0.219 . . . . 0.0 112.14 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -45.76 93.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.105 176.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.526 ' O ' HG12 ' A' ' 36' ' ' ILE . 9.7 m -61.71 -43.33 99.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.996 174.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.631 HD23 ' HB2' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -55.76 -45.98 77.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.231 -179.362 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.1 m -56.26 -51.48 67.99 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -177.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.402 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -70.47 -39.07 74.48 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.825 -174.154 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.526 HG12 ' O ' ' A' ' 32' ' ' THR . 15.3 pt -74.74 -32.77 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.918 -178.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 33' ' ' LEU . . . -64.15 -45.41 88.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.757 0.313 . . . . 0.0 110.16 177.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.65 -36.18 81.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.968 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.85 -47.1 69.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.93 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.831 ' HB1' HD12 ' A' ' 42' ' ' LEU . . . -77.86 -22.38 49.94 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.917 -176.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.28 0.91 61.15 Favored Glycine 0 N--CA 1.453 -0.177 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -176.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.831 HD12 ' HB1' ' A' ' 40' ' ' ALA . 2.9 mp -78.52 177.85 8.22 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.678 -0.761 . . . . 0.0 111.43 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.73 177.92 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.411 174.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.401 ' O ' HD22 ' A' ' 33' ' ' LEU . 34.9 mp0 -55.98 -50.24 71.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.994 -178.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -63.91 -49.23 73.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.268 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -57.04 -50.23 73.37 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.438 -178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.6 m -61.47 -46.58 89.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.262 -176.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.631 ' HB2' HD23 ' A' ' 33' ' ' LEU . 5.6 tp-100 -66.35 -42.98 87.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.808 0.337 . . . . 0.0 110.623 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.76 -45.72 91.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.663 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.521 ' HH2' ' HA ' ' A' ' 18' ' ' GLU . 78.3 t90 -67.24 -46.36 74.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.005 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.47 -42.74 88.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.388 . . . . 0.0 110.133 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.536 ' HA ' ' HB2' ' A' ' 55' ' ' LEU . 1.5 tptt -70.96 -29.16 65.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 178.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -36.89 82.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.054 177.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.511 ' HG3' ' CH2' ' A' ' 50' ' ' TRP . 1.2 mmt180 -80.03 -24.41 40.77 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.536 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -58.54 -44.66 89.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.782 174.342 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.22 -40.69 96.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.347 175.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.445 ' HG3' ' HA ' ' A' ' 54' ' ' ARG . 4.1 mm-40 . . . . . 0 C--N 1.333 -0.118 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.597 177.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 121.052 0.355 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.99 172.03 13.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.968 -178.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.29 -49.74 75.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 111.395 -176.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -66.26 -26.76 67.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.07 0.462 . . . . 0.0 110.594 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.414 ' CD ' HD13 ' A' ' 42' ' ' LEU . 47.9 tp60 -72.72 -40.08 66.42 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.506 177.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 62.3 t -65.99 -31.88 55.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.988 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -54.24 -35.25 62.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 176.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.4 mt -83.73 -46.58 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-O 121.11 0.481 . . . . 0.0 109.925 177.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.485 HD11 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -59.01 -45.92 89.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.939 -176.089 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.492 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 1.0 OUTLIER -58.32 -47.2 84.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.096 0.474 . . . . 0.0 110.256 179.339 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.567 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.7 t80 -60.14 -42.56 95.09 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.683 178.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -58.37 -60.3 4.0 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.692 176.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -57.42 -46.6 83.35 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.263 -171.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -80.65 -11.17 59.68 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.771 -174.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.567 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -95.72 -35.88 11.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.515 0.198 . . . . 0.0 111.439 -179.846 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.33 -0.262 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.288 -179.742 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo . . . . . 0 C--O 1.234 0.287 0 CA-C-O 120.904 0.293 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -39.29 92.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.967 178.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.03 -47.31 65.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.3 mt -58.09 -46.05 86.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.295 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.93 -41.62 99.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.838 -176.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -38.07 47.93 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.62 0.248 . . . . 0.0 110.689 -177.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.543 HG23 HG22 ' A' ' 47' ' ' THR . 7.2 mt -71.01 -41.91 76.85 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.096 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.382 -178.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -59.95 -39.94 87.29 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 175.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.45 -49.11 74.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.624 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -61.99 -48.01 82.25 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.52 -22.58 50.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.8 -176.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.91 -15.97 57.76 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.885 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.425 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 4.5 mp -70.71 165.57 22.69 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 123.25 0.62 . . . . 0.0 112.365 178.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.45 162.96 16.18 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 170.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -56.45 -43.67 79.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.435 0.459 . . . . 0.0 112.004 -176.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -57.52 -41.32 80.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.16 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -72.11 -37.08 69.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.132 -177.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.543 HG22 HG23 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -70.28 -43.33 70.67 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.668 -179.231 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -61.5 -42.61 99.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.604 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.17 -33.62 76.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.843 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.492 ' HH2' ' HA ' ' A' ' 18' ' ' GLU . 80.3 t90 -77.77 -46.81 20.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.751 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -59.26 -39.38 82.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.984 0.421 . . . . 0.0 110.118 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.451 ' HA ' HD22 ' A' ' 55' ' ' LEU . 8.8 mtpt -66.57 -26.91 67.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.079 178.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -36.19 77.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.008 0.432 . . . . 0.0 109.9 177.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.427 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 3.2 mmp_? -77.22 -23.86 51.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.678 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -58.45 -40.02 81.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.185 0.517 . . . . 0.0 109.729 175.343 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.92 -35.12 74.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.814 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.379 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo . . . . . 0 N--CA 1.461 -0.426 0 CA-C-O 120.855 0.273 . . . . 0.0 112.036 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.47 163.66 27.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.34 178.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -36.47 81.92 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.85 -40.52 88.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.353 175.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -72.49 -39.1 67.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.871 178.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 t -57.92 -34.94 49.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.358 176.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.33 -42.38 98.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.294 177.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.8 mt -66.22 -47.08 85.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.397 0.618 . . . . 0.0 109.444 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.401 ' HB3' ' CH2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -58.48 -46.95 85.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.112 178.061 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.455 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 17.1 tp10 -58.18 -43.76 87.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -63.8 -48.83 75.27 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 177.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -56.44 -59.76 4.51 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.804 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -54.15 -46.38 72.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.288 -174.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -64.61 -44.94 88.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.688 -176.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -92.93 -35.53 13.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.98 0.734 . . . . 0.0 112.98 -170.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.82 HG23 HG22 ' A' ' 32' ' ' THR . 5.4 p . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -169.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo . . . . . 0 N--CA 1.466 -0.145 0 N-CA-C 112.71 0.235 . . . . 0.0 112.71 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.37 -46.29 90.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.967 0.413 . . . . 0.0 110.494 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.82 HG22 HG23 ' A' ' 24' ' ' VAL . 55.0 m -61.89 -46.34 89.81 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.12 176.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.536 HD11 ' HB2' ' A' ' 48' ' ' GLN . 75.0 mt -55.44 -51.31 67.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.126 -172.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.404 ' HA ' ' CG ' ' A' ' 44' ' ' GLU . 12.3 m -62.68 -36.73 83.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.717 0.294 . . . . 0.0 111.567 -177.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.7 mt -77.23 -50.36 13.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.567 -176.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.464 HG23 HG23 ' A' ' 32' ' ' THR . 4.3 pt -72.56 -27.91 26.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.589 -174.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -61.44 -44.86 96.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.979 0.419 . . . . 0.0 110.156 177.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.97 -39.75 94.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.564 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -64.51 -42.84 95.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.164 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.77 -22.43 50.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.37 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.38 30.74 15.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.793 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.6 tp -123.49 162.49 22.78 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -177.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.6 p -84.82 151.15 24.54 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.334 -0.546 . . . . 0.0 109.934 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.404 ' CG ' ' HA ' ' A' ' 34' ' ' CYS . 36.9 mp0 -55.4 -42.72 74.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.022 -178.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -61.4 -43.89 98.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.181 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -65.95 -45.47 81.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.979 0.418 . . . . 0.0 110.367 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.0 m -59.18 -43.79 92.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.425 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.536 ' HB2' HD11 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -62.9 -41.34 99.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.638 179.681 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -43.64 98.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.982 0.42 . . . . 0.0 110.833 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.588 ' CZ3' ' HG3' ' A' ' 54' ' ' ARG . 69.5 t90 -67.06 -45.75 76.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.463 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -56.48 -40.82 75.55 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.178 0.513 . . . . 0.0 110.253 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -61.15 -42.26 98.24 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.819 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -32.99 71.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.702 0.287 . . . . 0.0 111.013 -176.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.588 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 0.3 OUTLIER -70.17 -38.23 75.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.739 0.304 . . . . 0.0 110.344 177.364 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 tp -59.67 -41.73 91.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.642 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.15 -45.77 83.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.596 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.867 179.794 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo . . . . . 0 N--CA 1.461 -0.39 0 CA-C-O 120.673 0.197 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.12 -172.56 2.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.859 178.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -56.45 -49.74 73.72 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.954 0.407 . . . . 0.0 111.506 -175.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 1.8 t70 -72.25 -32.69 66.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.886 0.374 . . . . 0.0 110.897 -177.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 -70.71 -39.54 73.35 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.343 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.7 t -62.65 -35.69 71.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.871 175.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.428 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.7 OUTLIER -58.73 -49.55 77.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.847 177.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.1 mt -64.81 -38.03 81.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 121.434 0.635 . . . . 0.0 110.153 178.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.49 -48.07 73.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.079 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.551 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.4 OUTLIER -61.03 -38.69 87.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.714 179.692 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.476 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 16.4 t80 -58.12 -40.04 80.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.846 176.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -75.23 -48.21 24.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.305 -177.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.58 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 84.7 t80 -56.75 -40.18 75.34 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.736 0.303 . . . . 0.0 111.567 -176.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -82.42 -19.93 38.06 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -178.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 3.7 mmtt -94.09 -36.59 12.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.741 0.305 . . . . 0.0 111.397 -178.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 77.2 t . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.075 178.844 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo . . . . . 0 C--O 1.231 0.148 0 N-CA-C 112.871 0.297 . . . . 0.0 112.871 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.67 -49.37 77.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.042 0.449 . . . . 0.0 111.37 -179.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.73 -33.82 71.25 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.244 -178.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.445 HD21 ' HG3' ' A' ' 48' ' ' GLN . 2.9 tp -54.75 -51.44 65.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.951 -175.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -36.57 83.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.953 0.406 . . . . 0.0 111.037 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 mt -73.95 -50.28 20.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.43 -176.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.473 HG13 HG23 ' A' ' 47' ' ' THR . 7.0 pt -68.22 -30.96 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -175.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.62 -46.85 77.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.931 0.396 . . . . 0.0 110.493 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.98 -36.59 78.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 178.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -69.24 -39.86 78.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.398 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.15 -13.64 52.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.772 0.32 . . . . 0.0 111.325 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.51 37.66 46.18 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.395 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.781 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -136.47 169.01 18.39 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -177.095 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.571 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 18.0 p -88.9 148.49 23.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.273 0.559 . . . . 0.0 112.309 -172.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -48.94 -49.12 41.83 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 114.913 -1.04 . . . . 0.0 113.647 -174.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.571 ' OE2' ' HB ' ' A' ' 43' ' ' THR . 0.1 OUTLIER -53.41 -49.13 67.92 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.426 0.454 . . . . 0.0 111.646 -173.83 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.781 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -67.12 -43.56 82.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.786 -178.179 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.473 HG23 HG13 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -58.48 -50.08 75.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.733 179.532 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.445 ' HG3' HD21 ' A' ' 33' ' ' LEU . 1.8 tt0 -62.17 -47.86 82.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.948 -177.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -63.12 -38.9 92.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.876 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.624 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 84.3 t90 -66.59 -53.57 32.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.07 -178.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.458 ' CZ ' HD13 ' A' ' 36' ' ' ILE . 16.3 m-85 -57.97 -37.47 74.24 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.909 0.385 . . . . 0.0 110.502 -177.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -67.42 -42.01 83.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.697 178.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -36.13 83.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.964 -178.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' ' 50' ' ' TRP . 13.3 mmm180 -70.22 -36.59 74.65 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 110.462 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -37.43 87.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.245 178.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.69 85.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.356 175.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.968 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HB2' HG21 ' A' ' 14' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.458 -0.559 0 CA-C-O 121.132 0.388 . . . . 0.0 112.592 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.437 ' HB ' ' OD1' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -75.46 168.65 19.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.447 177.619 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.4 ' CD ' ' H ' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -59.5 -41.24 89.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.904 0.383 . . . . 0.0 111.146 -176.076 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.437 ' OD1' ' HB ' ' A' ' 10' ' ' THR . 12.8 p-10 -67.02 -35.34 79.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.698 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.447 ' HA ' HD12 ' A' ' 16' ' ' ILE . 8.2 tp-100 -73.49 -39.06 65.16 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.402 HG21 ' HB2' ' A' ' 9' ' ' PRO . 38.1 t -59.58 -32.56 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.61 177.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -47.86 83.84 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.831 0.348 . . . . 0.0 110.354 175.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.622 HG21 ' HB1' ' A' ' 40' ' ' ALA . 12.1 mt -65.7 -39.98 86.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.064 178.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.507 HD13 HG21 ' A' ' 47' ' ' THR . 0.2 OUTLIER -64.85 -50.27 67.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.44 -179.129 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.579 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.8 OUTLIER -64.38 -43.46 94.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.623 -177.792 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.58 -49.43 74.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.072 177.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -66.24 -47.8 72.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.011 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.474 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 25.5 t80 -55.06 -46.17 75.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.693 -178.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -72.8 -36.84 67.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 -178.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -71.75 -40.43 69.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.123 -175.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.781 HG13 HG22 ' A' ' 32' ' ' THR . 86.3 t . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.904 0.383 . . . . 0.0 111.072 -175.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo . . . . . 0 C--O 1.234 0.293 0 CA-C-O 120.991 0.33 . . . . 0.0 112.769 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -36.34 73.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.763 -177.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.781 HG22 HG13 ' A' ' 24' ' ' VAL . 21.4 m -76.34 -42.62 44.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.124 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.628 HD12 ' HA ' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -59.2 -43.12 92.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.391 -177.817 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 96.3 m -56.8 -36.68 70.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.419 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -78.24 -41.29 34.68 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.648 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.547 HD13 HG21 ' A' ' 32' ' ' THR . 69.6 mt -63.25 -43.99 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.777 -178.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.27 -35.19 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.046 0.45 . . . . 0.0 110.474 177.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.75 -45.51 51.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.602 177.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -62.94 -46.38 88.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.42 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.622 ' HB1' HG21 ' A' ' 16' ' ' ILE . . . -78.35 -23.45 46.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -177.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.42 53.18 7.75 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.201 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.49 ' HG ' ' N ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -150.42 165.27 33.65 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -178.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.49 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 1.4 p -72.47 149.41 44.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.227 0.537 . . . . 0.0 112.109 -172.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -57.72 -46.06 84.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.233 -176.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -48.71 75.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.611 -176.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -59.82 -48.8 80.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.933 0.397 . . . . 0.0 110.375 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.507 HG21 HD13 ' A' ' 17' ' ' LEU . 2.3 m -56.7 -46.34 81.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.251 179.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.628 ' HA ' HD12 ' A' ' 33' ' ' LEU . 1.3 tt0 -65.84 -50.72 63.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.372 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -61.64 -36.82 81.89 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.087 0.47 . . . . 0.0 110.723 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.579 ' HH2' ' HA ' ' A' ' 18' ' ' GLU . 68.6 t90 -68.44 -51.04 48.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.809 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.497 ' CZ ' HD12 ' A' ' 36' ' ' ILE . 5.2 m-85 -57.46 -39.73 76.96 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.397 0.618 . . . . 0.0 110.026 179.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -65.65 -34.89 79.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.546 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -75.0 -30.87 61.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.602 0.239 . . . . 0.0 111.126 -175.852 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.448 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 1.5 mmp_? -72.46 -19.28 61.59 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.202 -177.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.32 -50.18 72.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.122 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.14 -35.91 76.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.756 0.312 . . . . 0.0 110.778 177.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 53' ' ' GLN . 34.1 mm-40 . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.273 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo . . . . . 0 N--CA 1.461 -0.418 0 CA-C-O 120.723 0.218 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.9 165.88 24.09 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.495 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -57.08 -42.43 80.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.717 0.294 . . . . 0.0 111.204 -177.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.31 -43.81 96.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.644 178.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -69.93 -36.99 75.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.015 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.9 t -62.02 -38.05 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.422 176.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.18 -46.23 88.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 177.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.5 mt -62.59 -36.76 76.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 121.521 0.676 . . . . 0.0 109.687 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.529 HD13 HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER -68.25 -49.31 61.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.312 -179.146 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.576 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -59.78 -42.67 93.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -178.774 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -62.72 -43.78 97.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.218 176.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -66.2 -52.51 47.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.332 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -54.45 -40.24 68.19 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.87 0.367 . . . . 0.0 110.645 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -71.25 -29.11 64.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.535 -177.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.08 -11.11 20.81 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -175.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.453 HG13 HG22 ' A' ' 32' ' ' THR . 15.0 t . . . . . 0 C--N 1.326 -0.427 0 CA-C-O 120.681 0.277 . . . . 0.0 110.346 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 N--CA 1.474 0.335 0 N-CA-C 113.292 0.458 . . . . 0.0 113.292 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -47.55 84.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.793 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.701 HG23 HG23 ' A' ' 36' ' ' ILE . 17.1 m -61.74 -46.41 89.74 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.5 176.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.669 HD22 ' HB2' ' A' ' 48' ' ' GLN . 4.0 tp -55.87 -44.32 78.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.258 -178.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.8 m -68.42 -37.66 80.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.238 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.599 ' HG ' ' N ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -77.25 -46.21 23.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.75 0.309 . . . . 0.0 111.795 -176.235 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.701 HG23 HG23 ' A' ' 32' ' ' THR . 4.6 pt -71.53 -25.44 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 O-C-N 122.26 -0.275 . . . . 0.0 111.244 -175.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.73 -43.79 94.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.103 176.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.9 -35.6 78.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.715 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -68.61 -41.09 80.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.038 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.98 -22.68 42.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.476 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.53 36.8 6.37 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.44 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.5 mt -134.67 174.78 10.19 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.49 173.13 7.1 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 176.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -61.27 -49.27 77.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.799 -175.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -57.04 -49.24 76.44 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.217 0.323 . . . . 0.0 111.474 -176.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -62.8 -45.99 90.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 111.051 -176.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.529 HG22 HD13 ' A' ' 17' ' ' LEU . 3.3 m -66.01 -41.6 90.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.98 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.669 ' HB2' HD22 ' A' ' 33' ' ' LEU . 7.1 tt0 -63.3 -45.63 90.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.376 -178.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -38.4 89.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -178.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.576 ' HH2' ' HA ' ' A' ' 18' ' ' GLU . 78.9 t90 -68.64 -47.91 65.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.586 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -60.43 -34.78 74.47 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.89 0.376 . . . . 0.0 110.421 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.457 ' HE2' ' HG2' ' A' ' 48' ' ' GLN . 7.2 mttm -59.66 -41.82 91.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.041 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -33.97 77.28 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.93 -178.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.487 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 2.4 mmt180 -73.52 -25.42 60.41 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.995 -177.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -41.85 78.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.135 0.493 . . . . 0.0 110.487 179.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.94 -43.49 58.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.882 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.236 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 tpp . . . . . 0 C--O 1.235 0.302 0 N-CA-C 110.595 -0.15 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m 58.65 41.51 21.96 Favored 'General case' 0 C--N 1.332 -0.169 0 O-C-N 123.629 0.581 . . . . 0.0 110.85 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.23 59.57 4.95 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.403 -177.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.87 176.48 10.11 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.371 -178.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.59 67.34 9.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.025 0.441 . . . . 0.0 110.929 -178.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -81.26 128.31 38.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.741 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 m 74.23 -47.84 0.65 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.641 0.777 . . . . 0.0 112.403 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -151.49 177.25 29.53 Favored Glycine 0 C--N 1.316 -0.577 0 C-N-CA 121.203 -0.522 . . . . 0.0 112.008 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.21 151.23 66.4 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.69 2.26 . . . . 0.0 112.552 -177.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.06 172.41 13.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.825 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -56.21 -43.3 78.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.375 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -56.95 -34.21 67.8 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.062 0.458 . . . . 0.0 110.888 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -73.38 -36.15 66.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.83 -177.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.3 t -61.25 -31.77 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.473 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -65.9 -44.73 84.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.562 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 11.8 mt -73.49 -33.91 41.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.074 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.48 ' HG ' ' CE3' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -68.95 -44.39 73.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.486 -179.591 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -40.34 94.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.805 0.336 . . . . 0.0 110.979 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.409 ' CE2' ' HE2' ' A' ' 23' ' ' LYS . 88.3 t80 -62.58 -44.85 95.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.676 176.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -61.94 -47.26 85.69 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.637 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.406 ' CE1' ' HB2' ' A' ' 54' ' ' ARG . 57.3 t80 -54.35 -42.41 70.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.071 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -82.33 -7.39 59.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.524 -176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HE2' ' CE2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -115.44 -28.14 6.95 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -174.272 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.464 ' CG2' ' H ' ' A' ' 25' ' ' ASN . 4.4 m -68.0 -75.72 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.491 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.464 ' H ' ' CG2' ' A' ' 24' ' ' VAL . 6.5 p30 -177.82 15.24 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 122.643 0.377 . . . . 0.0 110.348 -178.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.38 18.98 9.81 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.507 178.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -141.7 142.91 27.2 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 122.327 -0.233 . . . . 0.0 110.694 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -62.94 118.51 5.41 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.401 2.067 . . . . 0.0 111.854 174.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.598 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 0.5 OUTLIER -119.65 150.98 51.27 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.997 -175.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 29' ' ' ASP . 3.4 Cg_exo -77.77 -59.9 0.04 OUTLIER 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.329 2.686 . . . . 0.0 112.415 -174.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -43.46 95.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.541 0.686 . . . . 0.0 110.51 178.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.598 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 13.4 m -62.77 -46.26 88.84 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.78 -178.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.594 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 1.1 tp -55.39 -54.08 48.16 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -174.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.9 m -58.59 -44.93 90.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.493 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.68 -47.57 62.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.716 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 32' ' ' THR . 27.7 pt -72.63 -31.13 36.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.236 -176.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.42 96.74 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 120.802 0.334 . . . . 0.0 110.702 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.4 95.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.73 -28.64 60.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.85 -22.58 49.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.805 0.336 . . . . 0.0 110.863 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.98 30.94 7.97 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.995 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 69.3 mt -136.47 -167.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.02 173.81 7.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.159 174.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.75 -47.1 80.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 0.0 110.869 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.3 -49.33 44.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.944 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -72.3 -38.2 68.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.0 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.416 HG23 HD11 ' A' ' 17' ' ' LEU . 5.6 m -67.86 -41.52 82.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.885 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -62.48 -46.63 87.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.312 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.36 -34.46 73.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.539 -178.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.48 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 72.0 t90 -82.34 -49.42 10.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.981 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.35 -40.24 74.17 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.738 0.304 . . . . 0.0 111.072 -177.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -66.18 -31.96 73.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.273 -0.421 . . . . 0.0 112.002 -176.824 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.475 ' HB2' HE21 ' A' ' 53' ' ' GLN . 0.0 OUTLIER -73.18 -31.35 64.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.374 -178.193 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.406 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -76.99 -25.46 52.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.188 178.234 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -55.27 -44.5 75.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.753 177.9 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 60' ' ' ARG . . . -63.48 -46.49 85.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.997 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -65.39 -39.36 92.14 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.677 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -57.48 -45.57 84.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.35 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -65.04 -34.75 79.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.377 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 29.0 mtm180 -70.39 -51.32 30.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.055 0.455 . . . . 0.0 111.213 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.61 -52.11 42.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.119 -175.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -81.01 -17.06 51.59 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.144 -0.222 . . . . 0.0 111.504 -174.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.87 77.99 0.27 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.669 177.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mp -118.92 122.69 29.51 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 122.696 -0.297 . . . . 0.0 110.809 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -74.02 82.5 1.77 Allowed 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.736 2.291 . . . . 0.0 111.471 175.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 66.56 -132.44 0.17 Allowed 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.859 -177.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -101.17 -63.03 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.364 0.602 . . . . 0.0 110.867 -177.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 170.37 16.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.54 -176.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.17 99.26 5.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.857 176.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.9 m -136.08 131.07 34.37 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.141 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.1 m -82.5 107.95 14.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.63 105.81 11.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.171 176.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.645 -0.693 . . . . 0.0 110.376 -177.647 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.445 0 CA-C-O 121.092 0.472 . . . . 0.0 111.584 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -51.44 19.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.805 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -166.59 162.57 16.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.462 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -103.74 105.2 15.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.933 175.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.57 35.74 0.89 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.45 0.643 . . . . 0.0 110.693 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 t -115.69 112.67 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.005 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.23 -17.91 41.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.158 0.504 . . . . 0.0 110.583 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.12 -157.54 32.08 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.241 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.97 117.58 4.77 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.319 2.013 . . . . 0.0 111.287 176.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.411 ' O ' HG22 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -72.23 162.55 29.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.245 -177.506 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.58 -44.13 56.71 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -174.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -71.29 -33.75 70.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.819 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -73.12 -35.26 66.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.254 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 10' ' ' THR . 55.5 t -61.95 -30.95 49.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.324 177.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -47.63 77.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.152 0.501 . . . . 0.0 110.164 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.45 HG22 ' HB1' ' A' ' 40' ' ' ALA . 14.1 mt -63.01 -33.74 62.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.099 176.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.419 HD12 HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER -71.68 -49.6 38.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.717 -178.324 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.516 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -58.04 -41.47 83.3 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.873 -178.19 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.434 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 7.7 t80 -65.25 -49.22 70.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.167 177.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -62.43 -56.46 17.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.165 -176.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.461 ' CB ' ' HZ3' ' A' ' 50' ' ' TRP . 44.9 t80 -55.01 -33.15 62.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.826 -174.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -76.92 -17.49 58.89 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.703 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 19' ' ' TYR . 2.6 mmmt -117.34 -44.71 2.76 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -171.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.425 HG21 HG21 ' A' ' 32' ' ' THR . 6.5 p -72.42 -60.21 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -170.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -155.29 137.0 14.33 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.222 -0.299 . . . . 0.0 110.813 -174.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' O ' HD12 ' A' ' 55' ' ' LEU . 9.0 mmtp -92.08 4.87 52.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.336 0.588 . . . . 0.0 110.481 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -140.51 117.39 7.91 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.61 174.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.441 ' HG2' ' HD2' ' A' ' 52' ' ' LYS . 32.1 Cg_exo -58.96 121.17 9.51 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.948 2.432 . . . . 0.0 112.548 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.62 145.05 41.97 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 175.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -53.69 -41.13 76.54 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.293 2.662 . . . . 0.0 112.665 -176.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -50.88 63.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.061 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.494 ' O ' HG12 ' A' ' 36' ' ' ILE . 53.6 m -62.44 -45.71 91.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.456 ' CD1' ' HB ' ' A' ' 47' ' ' THR . 0.8 OUTLIER -57.53 -42.01 82.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.923 -174.007 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 68.2 m -66.82 -41.4 87.58 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.644 HD11 HG22 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -76.37 -42.62 44.05 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.167 -0.613 . . . . 0.0 111.249 -177.805 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.644 HG22 HD11 ' A' ' 35' ' ' LEU . 6.3 pt -67.04 -33.19 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.369 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -62.71 -45.89 90.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.139 0.495 . . . . 0.0 109.89 176.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.86 -38.78 92.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.926 177.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 35' ' ' LEU . 11.1 mm-40 -59.89 -40.32 88.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.834 177.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.45 ' HB1' HG22 ' A' ' 16' ' ' ILE . . . -79.65 -19.69 48.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.324 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.07 25.22 49.73 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.103 -0.57 . . . . 0.0 111.921 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.808 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -127.02 166.8 16.89 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.172 -0.306 . . . . 0.0 110.172 -175.461 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -79.59 156.45 27.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.009 0.433 . . . . 0.0 111.919 -174.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -63.35 -45.77 89.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.694 -170.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -59.69 -44.06 93.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.614 -173.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.808 ' HB2' HD11 ' A' ' 42' ' ' LEU . 2.1 mt-30 -65.76 -34.96 79.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.852 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.499 HG21 HD13 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -65.35 -49.11 70.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.757 0.313 . . . . 0.0 110.784 178.81 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -65.46 -42.23 92.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.04 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -59.87 -42.08 92.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.499 177.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.655 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . 63.7 t90 -69.63 -44.84 69.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -57.88 -31.98 67.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.113 0.483 . . . . 0.0 109.885 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HD2' ' HG2' ' A' ' 28' ' ' PRO . 1.5 mptm? -76.92 -42.24 40.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.228 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.655 ' HG2' ' HA ' ' A' ' 50' ' ' TRP . 0.6 OUTLIER -65.48 -33.46 75.98 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.006 0.431 . . . . 0.0 110.304 -178.734 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.474 ' HG3' ' CH2' ' A' ' 50' ' ' TRP . 7.3 mmt180 -79.81 -25.99 40.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.69 178.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 26' ' ' LYS . 12.1 tp -62.3 -40.95 97.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.189 0.519 . . . . 0.0 109.78 174.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.21 -39.97 82.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.488 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -66.69 -39.66 88.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.997 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.447 ' CD1' ' HB2' ' A' ' 62' ' ' GLU . 2.1 t90 -55.9 -39.79 72.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.695 -179.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.6 mtm105 -65.98 -21.04 66.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.37 -177.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.2 mtm105 -83.08 -58.66 2.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.995 0.426 . . . . 0.0 110.658 178.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -39.41 72.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.991 -175.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.447 ' HB2' ' CD1' ' A' ' 58' ' ' TRP . 1.6 mm-40 -108.07 31.39 5.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.26 -178.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -38.42 134.77 1.26 Allowed Glycine 0 C--N 1.335 0.491 0 CA-C-N 115.137 -0.938 . . . . 0.0 113.888 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 64' ' ' LEU . 4.0 mm? -83.71 127.1 69.05 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 115.43 -0.385 . . . . 0.0 110.402 -173.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -65.74 -47.45 3.91 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.296 1.998 . . . . 0.0 111.254 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.422 ' CB ' ' HB3' ' A' ' 69' ' ' ARG . 1.6 m -172.57 136.1 0.73 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.635 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 68' ' ' CYS . 1.4 pm0 -79.68 -43.43 22.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.704 0.288 . . . . 0.0 111.092 -178.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 24.1 m -107.52 -26.7 10.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.036 0.446 . . . . 0.0 110.927 -177.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.54 ' HA ' ' HD2' ' A' ' 69' ' ' ARG . 1.5 tpt180 -84.58 166.84 16.82 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.206 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.65 160.31 32.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.78 0.324 . . . . 0.0 111.462 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.7 p -57.59 123.87 10.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.274 0.559 . . . . 0.0 110.423 177.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.83 147.97 35.85 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -175.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.246 0.91 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ttm . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.192 0.52 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.26 78.65 5.76 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.012 176.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.14 -166.25 2.46 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.871 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.559 ' HB3' HG23 ' A' ' 6' ' ' VAL . 2.0 tp60 -144.57 173.01 12.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.564 -178.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.439 ' H ' ' HG3' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -77.22 27.6 0.15 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.899 0.381 . . . . 0.0 111.841 179.495 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.559 HG23 ' HB3' ' A' ' 4' ' ' GLN . 2.7 m -85.32 -34.29 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.289 0.566 . . . . 0.0 109.794 176.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.45 70.97 10.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.361 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.428 ' HA3' ' HD3' ' A' ' 9' ' ' PRO . . . -111.55 -129.12 5.35 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.02 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.428 ' HD3' ' HA3' ' A' ' 8' ' ' GLY . 5.6 Cg_exo -79.44 125.39 6.27 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 123.034 2.489 . . . . 0.0 111.966 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.62 170.12 17.01 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.489 178.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -53.02 -46.6 68.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -175.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -71.66 -29.31 64.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.964 0.411 . . . . 0.0 110.489 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.404 ' NE2' ' HG ' ' A' ' 42' ' ' LEU . 18.3 mm100 -73.2 -38.91 65.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.701 177.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.427 HG21 ' HB2' ' A' ' 9' ' ' PRO . 73.8 t -64.35 -28.57 45.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.226 0.536 . . . . 0.0 109.758 176.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -61.35 -49.16 78.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.04 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.655 HG23 ' HB2' ' A' ' 40' ' ' ALA . 15.2 mt -69.35 -33.89 59.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.35 177.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.93 -49.68 55.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.591 -177.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.535 ' HG2' ' HZ2' ' A' ' 50' ' ' TRP . 8.5 mm-40 -61.1 -41.3 96.41 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.827 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.469 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -61.99 -39.39 92.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.175 177.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.07 -55.61 9.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.698 -177.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.475 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 21.7 t80 -56.6 -33.51 66.31 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.035 0.445 . . . . 0.0 110.685 -177.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -79.87 -12.03 59.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -105.01 -55.04 2.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.665 -175.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 p -74.28 -67.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -175.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -175.66 159.92 2.39 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -168.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.445 ' H ' ' HG2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -93.15 28.19 2.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.049 0.452 . . . . 0.0 110.512 179.392 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -139.83 132.15 14.92 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.31 70.47 3.9 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.863 2.375 . . . . 0.0 111.567 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 7.3 m-20 -63.16 145.11 97.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.33 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 29' ' ' ASP . 35.6 Cg_exo -57.39 -39.24 90.91 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 123.123 2.548 . . . . 0.0 111.968 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.59 -41.09 89.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.03 179.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.486 HG23 HG23 ' A' ' 36' ' ' ILE . 5.8 m -72.99 -45.5 57.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.872 -177.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.479 HD12 ' HB2' ' A' ' 48' ' ' GLN . 13.8 mt -55.13 -62.07 1.9 Allowed 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -170.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.1 m -69.57 -26.88 64.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -174.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.3 mt -77.3 -48.67 16.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.771 0.32 . . . . 0.0 111.273 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.486 HG23 HG23 ' A' ' 32' ' ' THR . 3.2 pt -74.36 -25.07 19.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.037 -178.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -61.93 -36.5 81.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.418 176.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.13 -40.71 86.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.605 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.75 -33.4 73.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.06 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.655 ' HB2' HG23 ' A' ' 16' ' ' ILE . . . -87.84 -22.64 24.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.726 -178.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.8 35.95 14.86 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.93 -177.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.465 HD21 ' HA ' ' A' ' 42' ' ' LEU . 10.1 mt -123.33 -179.42 4.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 -177.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.0 p -110.35 164.8 12.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.245 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.74 -48.75 78.72 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -176.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.42 -49.24 76.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.603 -175.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -62.22 -45.55 92.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.6 m -67.87 -40.16 83.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.437 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.479 ' HB2' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -64.53 -46.18 83.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.148 -177.853 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -62.89 -41.11 99.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.402 . . . . 0.0 110.717 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.535 ' HZ2' ' HG2' ' A' ' 18' ' ' GLU . 80.2 t90 -65.55 -49.93 67.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.067 -178.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.475 ' CD2' ' HD2' ' A' ' 21' ' ' PHE . 5.2 m-85 -57.56 -43.22 84.33 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.952 0.406 . . . . 0.0 110.287 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -35.14 79.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.246 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.14 -30.71 69.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.832 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.406 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 1.7 mmp_? -78.76 -26.78 44.57 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.944 0.402 . . . . 0.0 110.012 176.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.622 HD13 ' CE3' ' A' ' 58' ' ' TRP . 49.3 tp -62.25 -31.11 71.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.328 177.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.83 -33.75 72.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.437 175.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -78.37 -25.42 46.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.99 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.622 ' CE3' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -55.27 -35.79 65.41 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.491 -179.735 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -62.7 -22.25 66.36 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.647 -176.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -82.62 -42.93 17.6 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.044 0.45 . . . . 0.0 110.638 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.43 -66.18 0.93 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.354 -176.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.42 30.45 7.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -169.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -138.09 -81.19 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 119.409 -1.377 . . . . 0.0 114.232 -174.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 64' ' ' LEU . 3.5 mm? -107.98 162.02 21.28 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 122.288 0.235 . . . . 0.0 110.933 -169.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.649 ' HB3' ' HB3' ' A' ' 69' ' ' ARG . 21.0 Cg_exo -67.07 85.75 0.32 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.921 2.414 . . . . 0.0 113.169 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.4 m -100.6 8.69 43.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.59 0.709 . . . . 0.0 109.244 171.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -145.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.301 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.68 39.68 0.69 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.548 -178.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.649 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . 6.3 ttm180 -119.46 171.96 7.97 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.11 105.69 0.51 Allowed 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 173.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.6 m -55.71 124.92 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.671 -173.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 m -108.6 139.43 43.38 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.4 176.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.3 t70 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.293 -0.861 . . . . 0.0 109.915 -178.562 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtp . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.837 0.351 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.68 165.43 11.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.203 177.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 47.9 60.61 3.44 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.693 0.621 . . . . 0.0 111.379 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -108.23 -168.48 1.37 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.838 -176.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.8 79.36 1.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.013 0.435 . . . . 0.0 111.415 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.16 -36.73 78.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.4 17.56 23.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.039 0.447 . . . . 0.0 110.813 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -134.15 -153.24 6.91 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -69.92 121.77 8.42 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.694 2.263 . . . . 0.0 112.017 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -79.99 174.58 11.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.824 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -45.7 80.7 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.808 0.337 . . . . 0.0 111.509 -176.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -63.63 -36.42 83.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.006 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -72.02 -40.78 68.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.202 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.3 t -60.27 -37.36 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.144 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.29 -51.16 70.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.603 176.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.44 HG21 ' HB1' ' A' ' 40' ' ' ALA . 28.7 mt -65.26 -40.08 87.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.936 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.1 mt -69.39 -47.86 62.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.55 -177.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.429 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 2.1 mm-40 -56.91 -47.59 80.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 111.083 -177.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.59 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 7.3 t80 -55.62 -41.74 73.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.579 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -73.92 -46.85 41.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.263 -177.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.674 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 41.6 t80 -58.17 -40.32 81.14 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.069 0.461 . . . . 0.0 111.564 -178.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -85.05 -9.04 58.4 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.356 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.59 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -110.24 8.61 23.66 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -177.674 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.49 ' CG2' ' H ' ' A' ' 25' ' ' ASN . 1.6 m -99.75 -98.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.49 ' H ' ' CG2' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -150.58 26.22 0.76 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 176.459 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 3.8 mmtp 68.25 -56.88 0.49 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.153 -169.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -75.4 119.11 75.5 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 172.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.508 ' HG3' ' HB3' ' A' ' 51' ' ' PHE . 44.1 Cg_endo -68.12 139.98 48.12 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.634 2.223 . . . . 0.0 112.767 -176.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -84.91 162.5 49.59 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.534 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.8 -29.82 83.54 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 122.041 1.827 . . . . 0.0 111.031 171.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -41.74 84.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.837 178.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.755 HG23 HG21 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -61.43 -48.75 79.74 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.971 -178.139 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.592 HD12 ' HG2' ' A' ' 48' ' ' GLN . 26.4 mt -57.86 -37.8 74.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -177.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.0 m -75.59 -52.2 11.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.82 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.678 ' HG ' HG23 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -78.1 -49.43 13.94 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -170.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.755 HG21 HG23 ' A' ' 32' ' ' THR . 0.8 OUTLIER -77.24 -25.38 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 120.65 -0.42 . . . . 0.0 112.073 -171.448 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -63.56 -40.73 97.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.019 0.438 . . . . 0.0 109.928 177.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.17 -28.67 65.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.795 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.67 -36.75 60.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.921 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.44 ' HB1' HG21 ' A' ' 16' ' ' ILE . . . -88.31 -10.91 47.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.405 -178.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.25 27.42 66.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.973 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mt -105.88 146.7 29.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.7 0.286 . . . . 0.0 110.325 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.32 169.96 15.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.979 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.28 -44.17 68.07 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.21 -174.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.477 ' H ' ' HG3' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -64.41 -43.77 93.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.431 -177.542 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -60.6 -50.91 71.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.503 -175.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.82 -47.26 81.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.305 -176.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.592 ' HG2' HD12 ' A' ' 33' ' ' LEU . 35.8 mt-30 -63.21 -48.94 76.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.949 0.404 . . . . 0.0 111.064 -178.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 6.2 tptp -59.88 -47.29 86.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.288 -176.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.674 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 89.2 t90 -66.85 -51.85 50.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.322 -177.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.508 ' HB3' ' HG3' ' A' ' 28' ' ' PRO . 10.8 m-85 -56.06 -44.92 79.36 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.02 0.438 . . . . 0.0 110.481 -177.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -68.75 -32.71 72.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.249 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.459 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -69.47 -37.23 77.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.465 -179.297 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 50' ' ' TRP . 14.0 mmm180 -72.94 -28.9 62.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.616 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.34 -36.07 81.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.358 0.599 . . . . 0.0 110.003 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.65 -44.49 50.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.072 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.417 ' OE1' ' HD2' ' A' ' 54' ' ' ARG . 86.8 mt-10 -69.02 -37.92 78.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.72 -177.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.36 -36.16 66.02 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.321 -175.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -59.96 -33.67 72.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.99 0.424 . . . . 0.0 111.067 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -82.15 -34.03 29.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.657 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.45 -61.47 1.9 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.925 -178.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -72.92 -37.33 67.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.171 -173.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.81 95.11 0.05 OUTLIER Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.069 -177.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.458 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 3.7 mp -72.94 128.96 87.19 Favored Pre-proline 0 C--N 1.328 -0.358 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 64' ' ' LEU . 9.4 Cg_exo -72.81 26.54 0.29 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.368 2.712 . . . . 0.0 113.67 -174.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.96 2.04 3.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.942 0.401 . . . . 0.0 110.673 177.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.3 80.64 1.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.3 m 58.81 -153.5 0.38 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.728 -173.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.439 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -81.12 89.39 5.98 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.981 -0.687 . . . . 0.0 109.817 176.057 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.454 ' O ' ' HA ' ' A' ' 65' ' ' PRO . 3.4 m -142.69 94.69 2.67 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.4 t -101.88 135.55 38.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.915 0.388 . . . . 0.0 110.751 -174.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.85 74.76 2.13 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.154 0.502 . . . . 0.0 109.732 172.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 t70 . . . . . 0 C--O 1.244 0.78 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.399 -176.192 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.89 0.376 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.71 30.75 1.13 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.43 -177.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.5 -70.96 0.68 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.931 0.396 . . . . 0.0 110.399 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -98.93 88.68 4.06 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.38 41.45 3.39 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.999 0.428 . . . . 0.0 110.831 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.411 ' C ' ' H ' ' A' ' 8' ' ' GLY . 2.3 t -101.13 97.44 5.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 -178.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 m 70.65 -17.07 0.3 Allowed 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.411 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 108.51 -94.54 0.86 Allowed Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -176.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -74.66 108.4 2.69 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.498 2.132 . . . . 0.0 111.338 172.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -178.36 2.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.393 -178.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -41.38 83.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.78 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -34.66 77.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.479 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -72.3 -43.17 64.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.804 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.469 ' O ' HG11 ' A' ' 14' ' ' VAL . 43.5 t -60.99 -27.93 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.166 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -63.25 -46.5 86.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.145 0.497 . . . . 0.0 110.158 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.0 mt -70.36 -45.82 73.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.05 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.609 HD13 HG21 ' A' ' 47' ' ' THR . 0.2 OUTLIER -60.95 -49.36 77.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.036 -176.331 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.412 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 3.0 tp10 -61.06 -40.28 93.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.594 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -64.07 -49.06 73.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.011 176.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -54.58 -60.84 2.81 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.317 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.457 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 18.7 t80 -56.48 -44.05 80.22 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.334 0.396 . . . . 0.0 111.467 -174.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -73.98 -20.3 60.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.848 -174.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.2 29.67 6.03 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -173.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.487 ' CG1' ' H ' ' A' ' 25' ' ' ASN . 2.3 p -116.53 -80.92 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 171.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.487 ' H ' ' CG1' ' A' ' 24' ' ' VAL . 5.3 p30 -161.55 20.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.567 ' HD3' ' CD1' ' A' ' 58' ' ' TRP . 41.7 mttt 67.77 -67.1 0.19 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.35 -177.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -106.09 97.14 14.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.748 0.309 . . . . 0.0 110.275 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.481 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 94.9 Cg_endo -86.8 -168.88 0.46 Allowed 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 122.683 2.256 . . . . 0.0 112.655 -177.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.507 ' HB2' ' HD2' ' A' ' 30' ' ' PRO . 14.2 p30 -118.53 171.13 5.52 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.387 178.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.507 ' HD2' ' HB2' ' A' ' 29' ' ' ASP . 72.6 Cg_exo -52.29 -39.06 73.37 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.615 2.21 . . . . 0.0 112.742 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.435 ' HG1' ' CG ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -58.53 -49.18 78.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.769 179.404 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.481 ' HB ' ' HB2' ' A' ' 28' ' ' PRO . 27.5 m -62.27 -44.02 97.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.229 178.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 48' ' ' GLN . 6.2 mt -62.94 -36.67 84.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.066 -174.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.1 m -68.0 -44.11 77.33 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.421 HD12 HG23 ' A' ' 36' ' ' ILE . 0.4 OUTLIER -71.85 -37.18 70.29 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.367 -176.762 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 32' ' ' THR . 33.1 pt -71.06 -37.17 66.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.794 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.94 94.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.999 0.428 . . . . 0.0 110.261 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.24 84.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.904 177.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.412 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 2.1 mm-40 -71.56 -40.35 70.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.09 -22.36 60.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.098 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.25 32.08 40.12 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.696 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.733 HD23 ' HG1' ' A' ' 47' ' ' THR . 0.3 OUTLIER -131.37 156.92 44.71 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -177.451 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.547 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 4.1 p -72.47 144.17 48.16 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.36 -174.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -51.3 -43.53 61.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.47 -175.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -54.77 -45.81 74.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.469 -177.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -66.8 -41.66 87.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.476 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.733 ' HG1' HD23 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -61.06 -48.29 82.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.09 0.471 . . . . 0.0 110.647 177.422 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.419 ' HA ' HD22 ' A' ' 33' ' ' LEU . 32.8 tt0 -63.34 -44.37 95.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.858 -178.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -44.76 95.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.733 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.457 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 74.1 t90 -64.21 -47.12 80.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.79 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -59.96 -38.28 82.04 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.028 0.442 . . . . 0.0 110.154 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -30.4 70.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.498 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -37.28 80.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.712 0.291 . . . . 0.0 110.452 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.82 -18.73 58.22 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.528 -178.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.415 HD12 ' CZ3' ' A' ' 58' ' ' TRP . 0.1 OUTLIER -58.99 -33.93 71.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.332 -179.509 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.34 -37.05 63.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.121 0.486 . . . . 0.0 110.691 178.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -72.52 -39.57 67.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.96 -177.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.567 ' CD1' ' HD3' ' A' ' 26' ' ' LYS . 1.1 t90 -56.76 -38.34 72.31 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.156 0.503 . . . . 0.0 110.737 178.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.5 mtm105 -67.61 -19.96 65.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.389 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.4 mmt-85 -76.18 -48.4 20.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.042 0.449 . . . . 0.0 110.487 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -65.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.885 -176.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.446 ' CD ' ' HZ3' ' A' ' 26' ' ' LYS . 8.9 pt-20 -109.66 -35.52 6.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.842 0.354 . . . . 0.0 111.211 -177.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.68 -129.06 8.9 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 120.361 -0.924 . . . . 0.0 111.557 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 2.7 mm? -120.37 125.5 27.19 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -179.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.759 ' HG2' HG12 ' A' ' 71' ' ' VAL . 13.6 Cg_exo -70.91 48.3 0.82 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.226 2.617 . . . . 0.0 112.852 178.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.0 p -169.73 -82.99 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.693 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.473 ' HB3' ' H ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -171.33 -93.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.677 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.473 ' H ' ' HB3' ' A' ' 67' ' ' GLU . 1.8 m -109.01 34.03 3.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.433 0.635 . . . . 0.0 109.668 174.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -118.73 176.19 5.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.365 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -174.16 2.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.053 178.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.759 HG12 ' HG2' ' A' ' 65' ' ' PRO . 38.4 t -69.94 104.58 1.13 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.273 0.558 . . . . 0.0 109.999 177.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.16 148.02 50.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.031 -178.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.4 t0 . . . . . 0 C--O 1.252 1.207 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.764 179.744 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m 59.4 -88.64 0.02 OUTLIER 'General case' 0 C--O 1.233 0.213 0 O-C-N 123.799 0.687 . . . . 0.0 111.734 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.537 ' HB1' ' H ' ' A' ' 4' ' ' GLN . . . 54.44 -128.24 2.27 Favored 'General case' 0 C--O 1.232 0.148 0 O-C-N 123.336 0.398 . . . . 0.0 109.938 -174.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.537 ' H ' ' HB1' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -144.01 89.11 2.01 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 175.474 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.56 64.24 8.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.973 0.416 . . . . 0.0 110.9 -178.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 m -95.78 -9.82 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.382 0.611 . . . . 0.0 109.805 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.38 107.38 15.0 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.291 178.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.05 -149.48 18.2 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.255 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -67.55 148.46 78.57 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.881 2.387 . . . . 0.0 112.116 -178.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.26 169.49 18.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.743 177.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.68 -44.24 77.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 110.95 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -35.04 79.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.856 179.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -72.9 -41.45 64.62 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.269 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.27 -34.42 66.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.399 177.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -58.08 -52.04 67.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.399 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.517 HG23 ' HB3' ' A' ' 40' ' ' ALA . 5.5 mt -63.07 -38.34 81.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.056 0.455 . . . . 0.0 110.254 177.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.45 HD12 ' HE1' ' A' ' 51' ' ' PHE . 0.2 OUTLIER -62.72 -49.99 72.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.244 -178.505 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.473 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 2.0 tt0 -68.37 -37.55 80.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.816 -177.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -64.06 -42.53 96.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.682 177.043 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -68.14 -44.9 75.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.682 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.452 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 34.4 t80 -55.05 -44.27 74.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.476 178.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -73.15 -34.32 66.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.226 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -79.18 -40.29 31.22 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -175.332 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.485 HG13 ' HB2' ' A' ' 25' ' ' ASN . 54.9 t -66.02 -76.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -176.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.485 ' HB2' HG13 ' A' ' 24' ' ' VAL . 1.6 m-80 -164.88 4.45 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.649 0.261 . . . . 0.0 110.849 -174.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.5 mtmm 61.68 20.14 11.08 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.414 0.626 . . . . 0.0 110.254 -170.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -141.1 138.83 18.29 Favored Pre-proline 0 N--CA 1.453 -0.301 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.734 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.466 ' HB3' ' CB ' ' A' ' 51' ' ' PHE . 92.5 Cg_endo -86.35 82.19 1.41 Allowed 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.643 2.229 . . . . 0.0 112.726 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.59 137.47 96.42 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 175.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.99 -43.5 56.14 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.798 2.332 . . . . 0.0 112.318 -177.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -43.64 89.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.094 0.474 . . . . 0.0 110.617 178.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.708 HG22 HG22 ' A' ' 36' ' ' ILE . 85.1 m -61.88 -37.21 83.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.355 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -55.23 -46.6 75.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.857 -174.086 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 m -61.15 -47.6 85.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.81 -176.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 32' ' ' THR . 0.3 OUTLIER -73.18 -42.76 62.39 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.735 -174.701 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.708 HG22 HG22 ' A' ' 32' ' ' THR . 46.7 pt -69.16 -29.28 42.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.139 -178.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.67 -42.32 91.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.992 0.425 . . . . 0.0 110.2 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.34 -34.41 74.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.477 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -70.99 -28.72 64.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.517 ' HB3' HG23 ' A' ' 16' ' ' ILE . . . -97.18 0.11 47.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.47 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.91 41.06 99.96 Favored Glycine 0 C--N 1.33 0.222 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.795 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.73 HD12 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -141.17 173.04 11.87 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -176.855 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.616 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 7.4 p -88.09 152.3 22.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.841 0.353 . . . . 0.0 111.927 -175.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.79 -46.24 91.28 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.145 -175.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.487 ' HG2' ' N ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -56.64 -38.14 71.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.173 -176.834 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.73 ' HB2' HD12 ' A' ' 42' ' ' LEU . 3.6 mm100 -72.3 -36.16 68.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.586 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -49.79 69.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.099 0.476 . . . . 0.0 110.178 179.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.433 ' HB2' HD21 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -61.11 -46.8 89.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.966 -178.651 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -38.44 89.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.364 -178.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.473 ' HH2' ' HA ' ' A' ' 18' ' ' GLU . 84.5 t90 -74.42 -49.98 20.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.466 ' CB ' ' HB3' ' A' ' 28' ' ' PRO . 10.2 m-85 -57.5 -41.81 81.5 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.035 0.445 . . . . 0.0 110.725 -177.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -31.43 72.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.201 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.411 HE21 ' HB2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -72.45 -33.54 67.12 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.122 -0.231 . . . . 0.0 110.781 -177.746 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -71.83 -26.54 62.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.752 0.31 . . . . 0.0 110.983 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -43.59 72.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.63 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.81 -32.59 62.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.522 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -81.05 -43.73 19.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.686 -175.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -55.4 -40.49 71.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.714 -172.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -65.52 -27.66 68.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.369 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -39.55 27.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.823 -177.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -38.8 86.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.947 0.403 . . . . 0.0 110.478 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -70.31 -35.37 73.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.646 177.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 67.42 38.02 90.7 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.083 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pp -86.67 114.98 60.64 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 121.112 0.482 . . . . 0.0 110.688 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.896 ' HA ' ' HB2' ' A' ' 70' ' ' SER . 56.4 Cg_endo -70.45 99.79 0.85 Allowed 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.521 2.147 . . . . 0.0 111.806 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.08 -72.94 0.68 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.24 -177.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.8 170.52 18.56 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.3 t 60.16 -150.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 -174.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.97 90.62 8.49 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.065 0.459 . . . . 0.0 110.716 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.896 ' HB2' ' HA ' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -112.51 94.26 4.83 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 172.89 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -82.92 104.43 11.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.143 -170.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.45 120.92 8.49 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.33 172.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.412 -0.804 . . . . 0.0 110.823 -177.389 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ttm . . . . . 0 N--CA 1.469 0.511 0 CA-C-O 120.71 0.291 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.59 152.13 44.26 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.678 176.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.58 148.44 51.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.84 -177.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -131.05 133.27 45.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.906 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.474 ' HB ' ' H ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -127.54 -141.68 0.27 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.24 178.812 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.474 ' H ' ' HB ' ' A' ' 5' ' ' THR . 2.1 t -96.31 -4.77 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.514 0.674 . . . . 0.0 109.474 175.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.46 163.59 18.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.261 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 167.86 -135.13 3.5 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.62 -0.592 . . . . 0.0 111.62 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.09 135.73 27.94 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.334 2.023 . . . . 0.0 112.424 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.36 -179.31 7.37 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.674 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.98 -50.01 67.51 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -174.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -33.94 75.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.087 0.47 . . . . 0.0 110.578 -177.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -68.85 -40.72 79.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.352 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.9 t -62.92 -37.47 79.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.869 175.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -59.72 -47.86 83.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.354 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.791 HG23 ' HB3' ' A' ' 40' ' ' ALA . 50.2 mt -63.17 -37.38 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.397 176.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.446 HD11 ' HA ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.15 -50.81 62.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.189 -178.231 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -59.23 -46.41 88.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.717 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -57.68 -47.6 81.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.305 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -65.57 -49.29 69.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.338 -176.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.579 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 32.3 t80 -58.37 -43.03 88.24 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.54 0.209 . . . . 0.0 110.538 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -63.58 -27.33 69.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HE2' ' HA ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -87.57 -26.99 22.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.638 -177.386 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.416 HG13 ' HG3' ' A' ' 26' ' ' LYS . 6.3 p -98.08 -51.82 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -177.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 53.42 67.57 0.98 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.259 0.552 . . . . 0.0 109.777 -173.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.509 ' HB2' ' H ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -94.63 -153.79 0.4 Allowed 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.269 -171.28 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.628 ' HB3' ' CD ' ' A' ' 28' ' ' PRO . 3.0 m-70 -140.22 -167.59 0.16 Allowed Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.821 -176.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.628 ' CD ' ' HB3' ' A' ' 27' ' ' HIS . 25.0 Cg_exo -66.76 56.3 0.48 Allowed 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 122.078 1.852 . . . . 0.0 112.782 171.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.476 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 2.5 p-10 -110.23 139.08 21.1 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.981 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.756 ' HA ' HD11 ' A' ' 33' ' ' LEU . 4.7 Cg_exo -78.95 -22.71 8.51 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 123.34 2.694 . . . . 0.0 112.176 174.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -49.54 76.72 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -171.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.653 ' HA ' HD21 ' A' ' 35' ' ' LEU . 2.1 m -69.6 -28.61 66.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.841 0.353 . . . . 0.0 111.562 -177.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.756 HD11 ' HA ' ' A' ' 30' ' ' PRO . 37.5 mt -63.24 -41.32 99.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.339 -176.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.5 m -59.67 -49.87 76.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.03 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.653 HD21 ' HA ' ' A' ' 32' ' ' THR . 0.8 OUTLIER -67.71 -38.79 84.09 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.144 -176.571 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.604 HD12 HG23 ' A' ' 32' ' ' THR . 69.1 mt -69.61 -40.22 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.836 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.52 -48.69 80.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.829 0.347 . . . . 0.0 110.465 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.12 99.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.022 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.87 -46.91 87.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.322 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.791 ' HB3' HG23 ' A' ' 16' ' ' ILE . . . -79.54 -13.82 59.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.737 -176.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.91 29.48 60.86 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.998 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.52 ' CD1' ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -125.32 167.83 14.36 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -178.007 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.598 ' HB ' ' OE1' ' A' ' 45' ' ' GLU . 4.3 p -88.94 142.93 27.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.808 0.337 . . . . 0.0 111.337 -174.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -50.88 -38.74 51.34 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.74 -175.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.598 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 2.0 mp0 -54.14 -48.01 71.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.46 -177.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.52 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 7.5 mt-30 -73.05 -33.4 65.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.828 0.347 . . . . 0.0 110.716 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.02 -47.1 75.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.781 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.62 ' HA ' HD23 ' A' ' 33' ' ' LEU . 29.4 tt0 -59.55 -44.43 93.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.834 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -43.67 88.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.908 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.474 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 84.5 t90 -72.66 -49.94 28.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.242 -176.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.579 ' CD2' ' HD2' ' A' ' 21' ' ' PHE . 24.4 m-85 -62.98 -27.83 69.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.474 -177.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 3.5 tttp -66.52 -42.13 87.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.058 178.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -69.66 -28.32 65.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.784 -177.877 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.423 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 2.4 mmp_? -77.55 -36.08 52.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.283 177.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.469 HD21 ' HA ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -55.37 -41.56 72.78 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.144 177.422 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' ' 60' ' ' ARG . . . -63.26 -54.65 33.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.796 177.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.22 -43.81 95.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.59 -176.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 5.9 t90 -60.19 -46.53 89.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.407 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.47 ' O ' ' HA2' ' A' ' 63' ' ' GLY . 61.5 mtm180 -68.35 -20.33 64.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.608 -177.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -75.37 -58.9 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.168 0.508 . . . . 0.0 110.356 175.677 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -75.13 -47.82 26.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.435 -174.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -91.62 -36.1 13.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.761 0.315 . . . . 0.0 111.028 -177.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . 83.49 -139.68 19.04 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.764 -0.731 . . . . 0.0 111.984 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.68 129.32 25.43 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.2 -43.24 3.25 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.881 2.387 . . . . 0.0 113.362 -177.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.55 91.21 3.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.982 0.42 . . . . 0.0 111.482 -176.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -86.72 -86.33 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.325 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.6 -46.81 5.88 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -99.48 164.8 11.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.542 176.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.61 83.81 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.163 0.506 . . . . 0.0 111.173 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.8 t -98.08 145.93 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 174.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.4 t -120.67 151.96 38.83 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.93 -175.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.252 1.187 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.071 173.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.464 0.274 0 CA-C-O 120.942 0.401 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.88 -24.31 67.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.684 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.71 96.68 6.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.057 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -107.7 88.1 2.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.193 0.521 . . . . 0.0 109.766 177.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.63 68.17 0.66 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.552 -178.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.569 HG13 ' HE3' ' A' ' 49' ' ' LYS . 14.0 t -72.68 -52.67 21.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.119 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.1 m -160.57 133.68 6.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.468 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -142.67 65.56 0.48 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.892 174.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -90.9 110.79 0.35 Allowed 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 123.136 2.557 . . . . 0.0 112.581 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 p -78.76 167.66 20.87 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.241 177.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -56.3 -36.42 68.64 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -174.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -65.78 -38.54 89.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.249 0.547 . . . . 0.0 110.457 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.0 tp60 -73.63 -36.51 65.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.113 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.458 ' O ' HG11 ' A' ' 14' ' ' VAL . 16.5 t -64.7 -28.77 45.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.61 -49.4 62.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.85 177.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mt -68.09 -41.67 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.253 177.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.444 ' HB2' ' HA ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -58.29 -48.78 79.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.569 -177.858 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -62.39 -38.37 89.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.445 179.878 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -61.71 -47.27 86.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.049 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.421 ' O ' ' HB ' ' A' ' 24' ' ' VAL . 11.7 m120 -58.04 -53.49 57.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.333 177.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 54' ' ' ARG . 39.4 t80 -61.22 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.337 . . . . 0.0 111.204 -177.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.2 m-80 -69.36 -38.34 78.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.717 0.294 . . . . 0.0 111.182 -177.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -83.69 -19.55 35.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.769 -177.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.63 HG22 ' HA ' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -79.4 -5.69 8.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.2 0.524 . . . . 0.0 110.761 178.577 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 75.43 48.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.583 -1.189 . . . . 0.0 109.779 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 73.36 -55.72 0.67 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.006 176.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -89.1 111.02 42.5 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.79 0.328 . . . . 0.0 111.566 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.63 ' HA ' HG22 ' A' ' 24' ' ' VAL . 85.0 Cg_endo -81.75 155.94 18.19 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.622 2.215 . . . . 0.0 112.019 177.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.28 160.35 31.62 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.78 -36.46 95.26 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.339 2.026 . . . . 0.0 111.414 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -41.53 95.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.678 176.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.614 ' HA ' HD23 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -61.63 -48.06 82.57 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.793 179.338 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.0 mt -55.14 -39.13 69.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.161 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.3 t -68.76 -51.31 42.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.304 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.614 HD23 ' HA ' ' A' ' 32' ' ' THR . 0.9 OUTLIER -70.83 -35.73 72.59 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -173.543 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.511 HG21 HG23 ' A' ' 32' ' ' THR . 7.4 pt -76.13 -35.2 27.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.884 -179.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.443 ' HB3' ' HG1' ' A' ' 47' ' ' THR . . . -65.51 -43.06 91.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.429 . . . . 0.0 110.285 178.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.79 -47.46 80.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.84 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -38.46 91.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.468 -178.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.72 -22.22 37.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.507 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.92 33.85 25.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.585 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 43' ' ' THR . 1.1 tp -125.91 153.25 44.49 Favored 'General case' 0 N--CA 1.434 -1.229 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -175.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.45 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -86.79 153.41 21.7 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.623 -0.431 . . . . 0.0 112.064 -175.337 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -51.33 -46.35 62.59 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 114.88 -1.055 . . . . 0.0 112.887 -175.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -55.49 -42.02 73.85 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.346 -176.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -72.5 -43.62 63.38 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.931 -177.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.443 ' HG1' ' HB3' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -59.1 -48.25 82.28 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.983 0.42 . . . . 0.0 110.78 178.877 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -38.0 89.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.188 -177.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.569 ' HE3' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -70.11 -47.13 63.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.704 0.287 . . . . 0.0 110.968 -178.559 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -64.59 -46.69 81.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.69 -178.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -61.72 -37.9 85.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.34 . . . . 0.0 110.102 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.11 -37.38 87.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.099 178.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -42.21 98.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.02 0.438 . . . . 0.0 109.986 178.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.489 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 5.3 mmt180 -74.57 -31.0 61.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.334 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' A' ' 55' ' ' LEU . 16.4 mt -64.53 -38.03 89.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.037 175.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.26 -46.87 87.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.961 175.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -59.42 -45.26 92.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.667 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -57.93 -47.52 82.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.457 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.651 ' HA ' HD23 ' A' ' 64' ' ' LEU . 2.4 mtt85 -63.81 -39.65 94.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.074 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -63.47 -55.32 25.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.147 0.498 . . . . 0.0 111.148 179.436 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 m -58.87 -49.5 77.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.758 -177.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -72.09 -33.19 67.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.905 0.384 . . . . 0.0 111.177 -178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.51 50.85 10.64 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.446 -177.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.651 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -119.3 145.54 38.77 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 120.671 0.272 . . . . 0.0 110.621 -177.572 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.505 ' HA ' ' OG1' ' A' ' 72' ' ' THR . 85.1 Cg_endo -89.12 -150.13 0.04 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 122.939 2.426 . . . . 0.0 112.397 177.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.83 -72.92 0.67 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 176.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.439 ' HG3' ' H ' ' A' ' 68' ' ' CYS . 1.1 tp10 -89.04 177.06 6.75 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 174.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.439 ' H ' ' HG3' ' A' ' 67' ' ' GLU . 2.7 m -77.44 65.56 3.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.338 0.59 . . . . 0.0 111.252 -178.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -118.73 -174.25 2.65 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.468 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.75 148.5 24.71 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 175.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.1 p -62.81 139.01 21.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.33 0.586 . . . . 0.0 111.712 -174.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.505 ' OG1' ' HA ' ' A' ' 65' ' ' PRO . 0.5 OUTLIER -81.69 -178.89 7.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.063 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.4 t70 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.314 -0.85 . . . . 0.0 111.423 176.666 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ttp . . . . . 0 N--CA 1.471 0.606 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.6 138.51 41.48 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 68.83 -83.66 0.03 OUTLIER 'General case' 0 C--O 1.233 0.217 0 O-C-N 124.227 0.954 . . . . 0.0 110.378 -173.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -135.36 148.05 49.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -44.24 96.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.151 0.5 . . . . 0.0 110.265 176.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 t -107.97 73.47 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.649 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.417 ' OG ' ' HE2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -91.51 5.88 47.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.101 178.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.27 137.37 15.35 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.378 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.581 ' HB2' ' HB2' ' A' ' 13' ' ' GLN . 56.7 Cg_endo -68.95 163.55 37.13 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 123.091 2.527 . . . . 0.0 112.162 177.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.98 171.43 14.09 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.737 -177.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -53.05 -43.44 66.65 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.514 -176.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -45.62 81.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.778 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.581 ' HB2' ' HB2' ' A' ' 9' ' ' PRO . 28.5 mm100 -72.94 -35.43 66.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.858 -177.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.4 t -56.38 -35.34 43.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.487 178.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -46.19 82.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.443 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.414 HG22 ' HA ' ' A' ' 40' ' ' ALA . 21.5 mt -67.98 -33.84 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.539 0.685 . . . . 0.0 110.463 178.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.486 ' CD2' ' HG3' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -71.31 -49.23 44.82 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.844 -177.03 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 2.5 mt-10 -59.63 -41.43 90.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.3 -176.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -42.46 96.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 0.0 110.037 177.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -67.5 -51.44 51.07 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.801 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.601 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 32.8 t80 -58.06 -41.37 83.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.567 0.222 . . . . 0.0 110.595 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.6 t-20 -61.17 -41.88 97.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.061 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 3.42 47.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.356 -178.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.592 HG13 ' N ' ' A' ' 25' ' ' ASN . 3.0 t -114.97 -70.83 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -176.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.592 ' N ' HG13 ' A' ' 24' ' ' VAL . 1.0 OUTLIER 60.31 96.32 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 O-C-N 123.494 0.496 . . . . 0.0 110.239 -174.002 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.428 ' HB2' ' H ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -132.56 -158.16 0.87 Allowed 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 122.017 0.913 . . . . 0.0 111.498 -171.551 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.465 ' HA ' HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -140.0 -178.58 0.85 Allowed Pre-proline 0 C--N 1.313 -1.021 0 CA-C-N 113.705 -1.589 . . . . 0.0 107.118 178.014 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -53.3 100.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 121.662 1.574 . . . . 0.0 111.293 169.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.46 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -150.99 135.75 9.96 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.641 -174.54 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 29' ' ' ASP . 5.8 Cg_exo -79.41 -36.55 0.64 Allowed 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 123.858 3.039 . . . . 0.0 112.647 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -50.01 67.95 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -170.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.427 ' O ' HG12 ' A' ' 36' ' ' ILE . 1.7 m -68.77 -28.85 67.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 111.52 -178.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.553 HD23 ' HG3' ' A' ' 48' ' ' GLN . 3.1 tp -67.58 -43.22 81.11 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -172.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -46.64 71.33 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.35 -45.58 31.42 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.488 -175.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 32' ' ' THR . 39.0 pt -67.09 -32.75 59.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.655 -175.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.33 -41.53 89.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.936 0.398 . . . . 0.0 110.207 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.0 -40.7 82.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.586 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.79 -30.11 70.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.45 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.414 ' HA ' HG22 ' A' ' 16' ' ' ILE . . . -85.02 -22.42 29.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.748 0.308 . . . . 0.0 110.703 177.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.93 31.54 59.88 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.18 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -135.13 165.18 25.99 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 -175.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.45 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 1.1 p -73.35 153.01 40.67 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.415 0.626 . . . . 0.0 112.112 -172.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -60.19 -43.86 95.54 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.157 -0.929 . . . . 0.0 112.335 -176.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -52.53 -49.45 64.82 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.31 0.381 . . . . 0.0 111.784 -175.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.434 ' HB2' HD11 ' A' ' 42' ' ' LEU . 1.4 mt-30 -67.13 -45.16 77.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.531 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -59.51 -45.32 92.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.137 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.553 ' HG3' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -65.44 -45.53 83.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.062 -178.198 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.417 ' HE2' ' OG ' ' A' ' 7' ' ' SER . 12.5 tptt -63.14 -43.69 97.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.612 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.496 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 77.3 t90 -63.95 -48.46 76.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.193 -179.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.601 ' CD2' ' HD2' ' A' ' 21' ' ' PHE . 13.2 m-85 -64.63 -27.34 68.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.562 -178.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.11 -33.43 56.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.995 0.426 . . . . 0.0 110.344 176.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -63.85 -48.29 77.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.553 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.47 ' HG3' ' CH2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -67.44 -25.29 65.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.455 -179.701 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -63.25 -38.51 91.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.994 179.335 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.4 80.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.462 ' HG3' ' HA ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -81.68 -41.95 20.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.492 179.335 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.53 ' CD1' ' HG3' ' A' ' 62' ' ' GLU . 5.8 t90 -55.86 -45.0 78.61 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.072 -177.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -65.02 -21.45 66.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.717 -176.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -79.3 -57.38 3.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.913 0.387 . . . . 0.0 110.688 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -27.08 67.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.108 -173.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.53 ' HG3' ' CD1' ' A' ' 58' ' ' TRP . 0.4 OUTLIER -79.88 4.87 15.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.7 0.286 . . . . 0.0 111.34 -179.535 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.35 34.77 68.93 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.796 176.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mt -101.54 133.27 20.94 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.03 109.3 0.32 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.067 2.512 . . . . 0.0 112.075 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.58 37.6 1.06 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.129 0.49 . . . . 0.0 111.216 -176.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.2 58.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.348 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 71.7 m 63.05 -156.18 0.33 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.356 -173.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.13 89.48 7.3 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.259 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.92 176.48 7.28 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.845 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.44 ' H ' HG21 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -106.8 104.65 17.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.446 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.12 114.64 24.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.473 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.6 t0 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.681 -0.675 . . . . 0.0 110.241 178.402 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.853 0.358 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.65 56.24 1.65 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.674 177.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.29 12.39 36.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.579 -174.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -73.86 95.91 2.51 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 175.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.62 -63.89 1.3 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -171.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 p -109.63 143.25 20.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.149 0.5 . . . . 0.0 112.093 -172.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.71 116.06 10.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.52 -0.763 . . . . 0.0 109.945 174.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.19 89.18 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.169 -178.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -63.11 128.06 21.88 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.755 2.303 . . . . 0.0 111.947 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.53 170.76 15.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.342 178.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -51.24 -44.02 61.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.065 0.459 . . . . 0.0 110.439 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -51.9 -51.62 55.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.12 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.49 ' HA ' HD13 ' A' ' 16' ' ' ILE . 29.7 mm100 -72.71 -35.25 67.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.925 -176.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.477 ' O ' HG12 ' A' ' 14' ' ' VAL . 28.2 t -63.56 -29.42 47.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.387 -179.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -66.7 -44.32 81.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.99 0.424 . . . . 0.0 110.319 177.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.49 HD13 ' HA ' ' A' ' 13' ' ' GLN . 12.1 mt -66.23 -33.47 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.681 0.753 . . . . 0.0 109.945 176.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -49.02 31.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.56 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.64 -44.11 85.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.259 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -40.46 94.84 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 177.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.22 -57.13 5.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.692 -175.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.427 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 25.2 t80 -54.96 -37.08 66.03 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -173.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.92 -7.12 58.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.221 -0.299 . . . . 0.0 111.762 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.46 -57.21 2.16 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -176.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -75.03 -61.99 1.49 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.542 0.21 . . . . 0.0 111.101 -175.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -178.63 156.62 0.9 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -177.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.422 ' O ' HD11 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -82.75 -22.83 34.24 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -171.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -93.28 126.58 50.12 Favored Pre-proline 0 C--N 1.321 -0.663 0 O-C-N 122.246 -0.283 . . . . 0.0 111.157 -175.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.597 ' HG3' ' HB3' ' A' ' 51' ' ' PHE . 36.2 Cg_exo -59.81 97.32 0.11 Allowed 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.452 2.101 . . . . 0.0 111.857 177.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.03 149.1 35.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.425 -178.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.32 -43.11 61.67 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 123.038 2.492 . . . . 0.0 112.275 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -45.38 94.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.616 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.22 -49.02 68.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.219 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.601 ' HB3' ' HG2' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -55.84 -52.41 64.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.531 -0.758 . . . . 0.0 112.048 -172.211 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.3 m -60.71 -41.7 95.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.874 0.368 . . . . 0.0 111.728 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 mt -77.91 -50.17 12.75 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -173.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.533 HG13 ' N ' ' A' ' 37' ' ' ALA . 1.4 pt -80.67 -32.92 13.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -171.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.533 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -64.08 -50.35 68.68 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.757 0.313 . . . . 0.0 110.801 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.3 -45.39 88.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.055 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -34.08 75.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.241 -178.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.434 ' HB3' HG23 ' A' ' 16' ' ' ILE . . . -72.74 -22.31 60.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.744 0.307 . . . . 0.0 110.75 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.18 23.01 11.78 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.857 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.9 mt -125.75 -177.5 3.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.0 p -113.94 168.29 9.92 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.19 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.601 ' HG2' ' HB3' ' A' ' 33' ' ' LEU . 1.6 mt-10 -60.21 -45.06 94.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.939 -175.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -63.74 -36.18 83.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.005 -174.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -70.52 -48.57 54.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.059 0.457 . . . . 0.0 110.673 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.413 ' HB ' ' CD1' ' A' ' 33' ' ' LEU . 2.6 m -69.6 -36.37 76.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.878 -176.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.87 -45.73 92.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.035 0.445 . . . . 0.0 110.536 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.69 -41.47 95.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.753 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.445 ' CH2' ' HG3' ' A' ' 54' ' ' ARG . 83.2 t90 -66.02 -48.7 70.29 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.419 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.597 ' HB3' ' HG3' ' A' ' 28' ' ' PRO . 3.7 m-85 -55.9 -42.97 76.82 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 120.958 0.409 . . . . 0.0 110.05 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.415 ' HD3' ' HG2' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -63.37 -36.87 85.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.293 179.439 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.508 ' HG2' ' HD3' ' A' ' 54' ' ' ARG . 10.0 tt0 -60.9 -46.93 88.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.618 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.508 ' HD3' ' HG2' ' A' ' 53' ' ' GLN . 1.5 mmt85 -73.76 -29.67 62.35 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.504 HD13 ' CE3' ' A' ' 58' ' ' TRP . 16.9 tp -60.99 -46.89 88.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.843 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.35 96.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.642 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -66.13 -43.97 85.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.843 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.504 ' CE3' HD13 ' A' ' 55' ' ' LEU . 2.0 t90 -55.75 -44.89 78.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.227 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.3 mtm105 -61.19 -51.51 68.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.683 -176.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 60' ' ' ARG . 0.4 OUTLIER -66.66 -28.47 68.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.505 -175.851 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.8 m -81.41 -27.74 34.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.784 0.325 . . . . 0.0 111.101 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.424 ' HG3' ' CD1' ' A' ' 58' ' ' TRP . 0.1 OUTLIER -79.09 -13.58 59.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.81 0.338 . . . . 0.0 111.172 -179.347 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.3 -0.64 26.64 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.763 176.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.22 124.5 89.29 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.439 ' HB3' ' O ' ' A' ' 70' ' ' SER . 2.6 Cg_endo -44.66 -72.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 124.131 3.221 . . . . 0.0 113.33 -173.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.98 -171.49 0.1 Allowed 'General case' 0 CA--C 1.536 0.426 0 O-C-N 123.539 0.524 . . . . 0.0 111.126 -178.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 65.77 -79.84 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.187 0.595 . . . . 0.0 111.466 177.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 62.2 m -132.11 -128.8 0.19 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -116.36 91.76 3.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.419 0.628 . . . . 0.0 110.77 177.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.439 ' O ' ' HB3' ' A' ' 65' ' ' PRO . 1.5 m -115.22 93.94 4.51 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.408 175.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.464 ' H ' HG23 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -60.58 104.29 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.34 -176.197 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.78 75.34 4.27 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.393 176.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.8 t70 . . . . . 0 C--O 1.245 0.865 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.354 -176.046 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.47 0 CA-C-O 121.058 0.456 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.11 139.36 58.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.751 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.88 -74.0 0.17 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.02 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -135.85 152.2 50.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.803 0.335 . . . . 0.0 110.587 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.48 115.14 8.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.385 175.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.4 t -71.5 114.91 10.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.654 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 m 59.69 58.44 2.85 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.473 0.654 . . . . 0.0 110.361 -178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.21 -166.2 21.62 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.357 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.88 130.11 21.09 Favored 'Trans proline' 0 N--CA 1.464 -0.24 0 C-N-CA 122.377 2.051 . . . . 0.0 111.851 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.59 -179.5 7.15 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.001 -175.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.49 -40.23 65.2 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -173.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.86 -43.2 98.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.882 0.373 . . . . 0.0 110.97 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -73.3 -36.1 66.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.276 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.44 ' O ' HG12 ' A' ' 14' ' ' VAL . 12.4 t -59.36 -31.54 46.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.83 179.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.81 -43.64 97.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.959 0.409 . . . . 0.0 110.77 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.58 HG22 ' HB1' ' A' ' 40' ' ' ALA . 24.5 mt -75.88 -39.64 38.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.917 177.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -63.77 -49.75 71.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.588 -176.4 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.456 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.6 OUTLIER -60.58 -39.32 87.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.746 -177.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -65.93 -45.59 81.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.967 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.74 -50.96 70.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.323 -178.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.508 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 68.6 t80 -60.19 -37.42 80.17 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.644 0.259 . . . . 0.0 111.11 -178.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -70.9 -27.37 63.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.796 0.332 . . . . 0.0 110.91 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.86 -41.67 14.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.018 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.537 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 33.8 m -74.81 -25.5 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 121.09 0.472 . . . . 0.0 110.654 178.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.537 ' HB2' ' O ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER 83.01 -73.13 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 114.306 -1.315 . . . . 0.0 109.905 -179.682 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.508 ' O ' HG21 ' A' ' 24' ' ' VAL . 7.6 mmtm -121.44 -145.65 0.36 Allowed 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 173.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -140.85 85.52 12.47 Favored Pre-proline 0 C--N 1.315 -0.935 0 CA-C-O 121.155 0.502 . . . . 0.0 110.81 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.441 ' O ' ' HB2' ' A' ' 29' ' ' ASP . 7.8 Cg_exo -72.61 95.67 0.8 Allowed 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.824 2.349 . . . . 0.0 111.154 177.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 28' ' ' PRO . 2.5 m-20 74.25 150.64 0.13 Allowed Pre-proline 0 CA--C 1.532 0.275 0 O-C-N 124.05 0.844 . . . . 0.0 111.053 -178.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.46 -10.26 25.52 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.056 2.504 . . . . 0.0 113.255 -178.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -46.95 66.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.636 -178.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.515 HG23 HG21 ' A' ' 36' ' ' ILE . 18.2 m -61.75 -48.95 78.38 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.756 0.312 . . . . 0.0 110.485 176.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.6 HD13 ' HG3' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -58.2 -51.44 69.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.006 -173.823 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.6 m -59.99 -35.09 74.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.93 0.395 . . . . 0.0 111.428 -178.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.9 mt -77.37 -49.51 14.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.411 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.515 HG21 HG23 ' A' ' 32' ' ' THR . 10.2 pt -68.29 -25.42 31.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.198 -176.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.63 -52.3 66.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.078 0.466 . . . . 0.0 110.491 176.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.69 -36.85 85.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.68 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -36.22 82.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.778 177.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.58 ' HB1' HG22 ' A' ' 16' ' ' ILE . . . -79.23 -10.97 59.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.027 178.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.39 34.84 49.56 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.324 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.854 HD13 ' HB2' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -142.69 162.44 35.47 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -177.123 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.444 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -76.5 159.94 29.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.427 0.632 . . . . 0.0 112.401 -173.084 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.33 -49.2 78.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.734 -175.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.6 -43.22 97.67 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -173.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.854 ' HB2' HD13 ' A' ' 42' ' ' LEU . 2.0 mm100 -66.77 -37.89 85.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.875 0.369 . . . . 0.0 110.175 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 m -65.44 -43.0 91.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.549 176.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.6 ' HG3' HD13 ' A' ' 33' ' ' LEU . 3.4 tt0 -62.19 -51.47 67.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.871 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -54.96 -36.24 65.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.756 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.591 ' CH2' ' HG3' ' A' ' 54' ' ' ARG . 81.3 t90 -77.11 -51.18 11.48 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.509 -177.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.472 ' CD2' ' HD1' ' A' ' 21' ' ' PHE . 14.1 m-85 -63.03 -33.33 75.19 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.69 0.281 . . . . 0.0 110.567 -175.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -69.98 -36.46 75.21 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.995 0.426 . . . . 0.0 110.239 176.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -40.98 96.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.848 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.591 ' HG3' ' CH2' ' A' ' 50' ' ' TRP . 7.2 mmm180 -71.43 -26.11 62.6 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 120.753 0.311 . . . . 0.0 110.335 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.0 tp -67.92 -32.47 72.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.135 0.493 . . . . 0.0 110.095 177.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.34 -38.3 63.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.074 174.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -65.45 -38.79 90.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.803 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.468 ' CE2' ' HE3' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -55.57 -36.56 66.98 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.228 -177.672 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.774 ' HA ' HD12 ' A' ' 64' ' ' LEU . 12.3 mtt180 -64.07 -28.6 69.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.649 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -33.7 28.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.589 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -51.69 28.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.884 0.373 . . . . 0.0 110.91 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.404 ' HG3' ' CD1' ' A' ' 58' ' ' TRP . 4.9 mt-10 -74.33 -12.69 60.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.79 50.02 55.87 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.907 -0.664 . . . . 0.0 111.748 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 59' ' ' ARG . 27.4 mt -81.44 157.15 70.59 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.86 -0.17 . . . . 0.0 110.678 -176.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.29 89.44 0.16 Allowed 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.615 2.21 . . . . 0.0 111.501 176.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.6 m -154.0 29.69 0.46 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.244 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.49 -58.37 2.58 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 175.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.2 p -90.25 -174.47 4.19 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 170.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 -84.69 85.76 7.4 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.428 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.48 81.89 1.47 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.447 175.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.9 t -92.6 105.42 16.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 120.766 0.317 . . . . 0.0 110.737 -176.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.12 75.17 10.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.294 0.569 . . . . 0.0 110.264 177.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.245 0.817 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.604 -179.057 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 tpp . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.98 52.79 1.83 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.55 0.69 . . . . 0.0 110.122 176.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.7 117.31 33.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.74 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.5 pm0 -76.36 102.01 5.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.541 0.686 . . . . 0.0 110.211 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.63 -46.99 3.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.536 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.92 -11.72 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.235 0.541 . . . . 0.0 110.531 178.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.54 142.75 30.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.166 178.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -126.96 -130.04 3.33 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.38 -178.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -69.57 115.93 4.3 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.955 2.437 . . . . 0.0 112.379 -177.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.37 -180.0 6.64 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.812 178.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.62 -46.04 77.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.959 0.409 . . . . 0.0 110.871 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -62.28 -40.56 96.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.747 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.451 ' HG3' ' CD1' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -71.64 -35.42 70.4 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.974 -177.211 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.445 ' O ' HG12 ' A' ' 14' ' ' VAL . 37.8 t -58.31 -31.28 42.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.588 177.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.73 -47.65 71.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.35 0.595 . . . . 0.0 110.317 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.781 HG22 ' HB1' ' A' ' 40' ' ' ALA . 36.8 mt -64.43 -34.06 66.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.468 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -71.78 -49.16 41.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.092 -179.788 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -59.54 -48.19 82.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.512 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.1 t80 -54.05 -43.51 70.29 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.982 0.42 . . . . 0.0 110.325 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -69.29 -59.35 3.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.895 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.447 ' CB ' ' HZ3' ' A' ' 50' ' ' TRP . 22.5 t80 -55.5 -41.16 72.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.796 -173.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -81.46 -5.79 58.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.707 0.289 . . . . 0.0 111.614 -176.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -104.27 -68.39 0.85 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.358 -178.452 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.1 p -64.48 -65.57 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.265 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -172.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -172.52 141.46 1.15 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -171.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -75.86 -21.96 56.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.982 0.42 . . . . 0.0 111.251 -175.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.516 ' HD2' ' HD2' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -89.17 132.53 37.43 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.303 178.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.516 ' HD2' ' HD2' ' A' ' 27' ' ' HIS . 36.8 Cg_exo -61.74 88.62 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.034 2.489 . . . . 0.0 112.406 178.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -83.24 147.82 54.48 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.731 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -64.65 -32.54 57.57 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.871 2.38 . . . . 0.0 112.046 -177.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -47.09 85.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.925 179.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.44 -45.41 22.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.284 -177.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.489 HD13 ' HB2' ' A' ' 48' ' ' GLN . 17.0 mt -54.48 -62.41 1.67 Allowed 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -168.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.58 -32.1 72.61 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -173.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.607 ' HG ' HG22 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -75.58 -47.72 25.48 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.141 -0.223 . . . . 0.0 110.944 -175.781 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.607 HG22 ' HG ' ' A' ' 35' ' ' LEU . 1.4 pt -78.45 -25.46 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.082 -176.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.411 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -61.17 -50.39 73.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.721 0.296 . . . . 0.0 110.452 176.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.9 92.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.726 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.91 -39.52 79.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.022 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.781 ' HB1' HG22 ' A' ' 16' ' ' ILE . . . -90.39 15.41 10.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.047 -176.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 61.71 23.68 63.41 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.756 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.451 ' CD1' ' HG3' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -107.96 -178.76 3.7 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 122.77 0.428 . . . . 0.0 110.026 -178.499 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.02 164.31 16.32 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 174.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -55.63 -49.21 73.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.823 -175.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -61.04 -45.13 96.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.839 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -55.29 -53.17 59.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.574 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.559 HG22 HD12 ' A' ' 36' ' ' ILE . 1.6 m -62.86 -44.82 95.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.296 -177.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.489 ' HB2' HD13 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -66.33 -43.59 85.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.939 -178.161 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -63.88 -30.91 71.95 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.607 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 85.1 t90 -79.77 -48.98 12.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.435 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -54.71 -47.85 73.21 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.184 0.516 . . . . 0.0 110.561 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -29.96 69.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.563 -177.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.504 ' NE2' ' HA ' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -75.46 -32.57 60.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.742 -177.51 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.607 ' HG2' ' O ' ' A' ' 50' ' ' TRP . 10.6 mmm180 -80.56 -18.17 49.17 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.665 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -49.09 69.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.018 0.437 . . . . 0.0 110.876 178.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 60' ' ' ARG . . . -68.4 -29.47 68.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.881 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 3.8 mm-40 -72.99 -46.06 54.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.915 -179.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -55.9 -45.39 78.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.325 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -28.64 64.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.209 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -75.57 -40.23 56.97 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.491 0.186 . . . . 0.0 111.163 -178.824 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.1 m -73.27 -52.98 12.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.625 0.25 . . . . 0.0 111.148 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.619 ' HB2' HD22 ' A' ' 64' ' ' LEU . 44.8 mm-40 -73.17 -25.77 60.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.962 -176.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 60.93 38.59 95.68 Favored Glycine 0 C--N 1.333 0.395 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 -177.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.619 HD22 ' HB2' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -102.56 136.77 19.29 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 121.003 0.43 . . . . 0.0 111.364 -171.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -88.66 -159.8 0.09 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.129 2.553 . . . . 0.0 111.423 176.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.9 m -113.44 159.66 19.25 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -39.53 68.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.9 0.381 . . . . 0.0 111.621 -178.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.84 7.2 41.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.19 -178.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -118.97 148.52 42.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.596 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.1 167.95 14.97 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.68 175.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.5 p -53.89 138.6 13.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.54 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.21 79.15 1.29 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.324 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--N 1.317 -0.816 0 CA-C-O 118.653 -0.689 . . . . 0.0 109.637 178.73 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.213 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.71 121.13 11.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.757 -172.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.75 153.5 38.16 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.751 174.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.67 89.07 2.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.988 0.423 . . . . 0.0 111.071 -177.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.71 -65.5 1.0 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 177.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 t -92.63 89.38 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.021 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.16 62.14 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.288 0.566 . . . . 0.0 110.269 175.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.79 118.27 0.78 Allowed Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.364 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.21 153.08 72.02 Favored 'Trans proline' 0 C--O 1.233 0.252 0 C-N-CA 122.748 2.299 . . . . 0.0 113.011 -178.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.79 168.94 19.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.617 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.22 -49.19 78.8 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -175.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -66.91 -29.81 69.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.161 0.505 . . . . 0.0 110.755 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -72.84 -37.58 67.37 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.008 175.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 14' ' ' VAL . 4.5 t -63.76 -30.33 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.823 178.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -55.39 -43.46 75.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 0.0 110.612 176.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.634 HG23 ' HB3' ' A' ' 40' ' ' ALA . 13.0 mt -67.02 -36.21 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.997 178.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.401 HD11 ' HE1' ' A' ' 51' ' ' PHE . 0.2 OUTLIER -68.79 -50.2 52.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.991 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.98 -37.93 86.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.9 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 72.9 t80 -65.67 -44.78 85.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.169 177.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.7 -48.35 72.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.39 -177.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.522 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 60.1 t80 -58.54 -36.64 74.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.978 0.418 . . . . 0.0 110.91 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -85.02 -12.49 53.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.969 0.414 . . . . 0.0 111.027 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 5.7 tmtt? -95.54 -36.65 11.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.172 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.548 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 35.1 m -71.65 -23.23 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 121.029 0.443 . . . . 0.0 110.698 177.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.548 ' HB2' ' O ' ' A' ' 24' ' ' VAL . 1.0 OUTLIER 84.5 70.63 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.488 178.711 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt 70.55 -80.67 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.484 175.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -102.03 108.27 55.92 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 120.687 0.28 . . . . 0.0 111.216 -173.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -90.02 177.09 2.58 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 122.923 2.415 . . . . 0.0 112.316 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.39 158.03 64.11 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.32 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -53.95 -42.54 65.85 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.379 2.053 . . . . 0.0 111.191 170.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -37.09 79.34 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.051 176.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.523 HG23 HG23 ' A' ' 36' ' ' ILE . 17.0 m -61.09 -48.17 82.9 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.018 177.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.5 mt -55.9 -44.7 78.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.86 -177.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.0 m -72.75 -38.18 67.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.19 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.1 -48.01 54.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.803 0.335 . . . . 0.0 111.27 -177.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.523 HG23 HG23 ' A' ' 32' ' ' THR . 5.4 pt -69.27 -25.26 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.918 -178.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.538 ' HB2' ' HG1' ' A' ' 47' ' ' THR . . . -61.85 -52.93 62.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.868 0.366 . . . . 0.0 110.318 175.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.89 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.957 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -69.86 -45.31 68.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.012 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.634 ' HB3' HG23 ' A' ' 16' ' ' ILE . . . -80.45 -18.46 48.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.609 -177.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.06 29.49 17.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.913 -178.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 42' ' ' LEU . 13.4 mt -115.78 161.01 19.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.704 0.288 . . . . 0.0 110.463 -176.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.26 154.41 40.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.649 173.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -48.89 -45.21 40.84 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.57 172.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 4.4 mm-40 -63.96 -39.92 95.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.286 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -61.68 -49.02 78.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.028 -176.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.538 ' HG1' ' HB2' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -67.07 -48.72 67.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.794 -179.647 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -59.14 -47.72 84.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.224 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 4.3 mptt -61.89 -44.61 96.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.781 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.522 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 88.2 t90 -68.35 -52.29 34.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.301 -177.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.41 ' HD1' ' O ' ' A' ' 47' ' ' THR . 20.2 m-85 -58.81 -39.4 81.03 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.841 0.353 . . . . 0.0 110.512 -176.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -41.5 97.26 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.624 177.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.585 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -60.8 -43.89 97.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.42 -179.414 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.521 ' HG2' ' O ' ' A' ' 50' ' ' TRP . 9.6 mmm180 -71.32 -28.33 64.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.987 -177.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 tp -63.08 -44.96 94.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.044 0.45 . . . . 0.0 110.369 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.93 89.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.659 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' ' 53' ' ' GLN . 24.1 mt-10 -67.8 -47.96 67.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.754 178.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -55.4 -42.86 74.65 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.255 -175.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -27.23 67.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.021 -178.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.75 -33.98 27.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.583 0.23 . . . . 0.0 110.583 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.49 -58.86 3.01 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.842 0.353 . . . . 0.0 111.38 -178.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -73.72 -35.07 65.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.332 -178.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.2 124.2 0.52 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.231 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 46.0 mt -69.46 130.42 90.75 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.574 ' HB2' HG11 ' A' ' 71' ' ' VAL . 5.7 Cg_exo -79.21 11.19 2.7 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 123.0 2.467 . . . . 0.0 112.572 -178.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 37.0 m 70.15 179.0 0.25 Allowed 'General case' 0 C--O 1.233 0.215 0 O-C-N 123.714 0.634 . . . . 0.0 111.506 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.62 -44.96 1.65 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.778 178.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -14.98 55.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.592 179.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -99.34 158.4 15.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.896 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.78 112.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 178.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.574 HG11 ' HB2' ' A' ' 65' ' ' PRO . 84.6 t -69.57 110.3 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.739 177.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -139.25 150.76 45.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.957 0.408 . . . . 0.0 111.339 -176.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.6 t70 . . . . . 0 C--O 1.248 1.017 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.109 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttt . . . . . 0 N--CA 1.467 0.379 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.65 -39.57 4.01 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.114 0.483 . . . . 0.0 110.128 176.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.08 -31.25 23.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.319 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.97 122.17 37.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.465 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.84 -74.7 0.33 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.428 0.632 . . . . 0.0 109.505 176.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.74 -82.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.935 174.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 56.15 58.8 4.07 Favored 'General case' 0 C--O 1.232 0.17 0 O-C-N 123.837 0.71 . . . . 0.0 111.502 175.045 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -126.17 -156.52 9.28 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.727 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -79.0 136.44 13.09 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.545 2.163 . . . . 0.0 112.371 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.47 166.99 22.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.346 177.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -59.04 -39.3 81.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.854 0.359 . . . . 0.0 110.724 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -35.88 81.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.957 177.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.414 ' HG3' HD22 ' A' ' 17' ' ' LEU . 10.1 tp-100 -73.01 -37.68 66.87 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.863 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.84 -34.46 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.447 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -58.3 -40.56 82.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.096 0.474 . . . . 0.0 110.751 176.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.2 mt -73.96 -44.55 50.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.113 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -64.17 -49.72 70.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.015 -176.195 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.506 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.8 OUTLIER -59.61 -41.04 89.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.352 . . . . 0.0 110.984 -176.672 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.529 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -65.1 -47.73 76.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.865 177.43 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -65.0 -54.83 24.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.368 -175.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.459 ' CB ' ' HZ3' ' A' ' 50' ' ' TRP . 36.7 t80 -54.96 -43.25 73.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.811 -173.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.84 -13.11 59.24 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.701 -0.399 . . . . 0.0 111.07 -178.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 3.8 tmtt? -94.3 -63.41 1.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.748 -176.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 p -64.63 -61.34 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.174 -173.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -171.11 143.08 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -178.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -23.05 59.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.298 0.571 . . . . 0.0 109.976 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -89.7 128.87 48.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.136 176.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -61.88 104.06 0.31 Allowed 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.949 2.433 . . . . 0.0 112.869 -178.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 4.3 t70 -80.58 144.93 57.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.653 174.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 29' ' ' ASP . 1.0 OUTLIER -74.08 -47.22 0.26 Allowed 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 123.202 2.601 . . . . 0.0 111.376 -178.54 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -44.25 95.65 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.55 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.504 ' O ' HG12 ' A' ' 36' ' ' ILE . 29.5 m -61.8 -44.9 95.94 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.898 177.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.402 HD13 ' HB2' ' A' ' 48' ' ' GLN . 10.9 mt -55.35 -55.41 31.9 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.228 0.33 . . . . 0.0 111.198 -178.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.0 m -61.4 -42.15 98.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.285 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.1 -50.19 62.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.517 -177.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 32' ' ' THR . 20.7 pt -73.92 -27.35 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.526 -176.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -67.48 -40.21 85.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.004 0.43 . . . . 0.0 110.022 176.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.27 94.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.201 175.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.57 -48.66 74.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.523 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.51 -5.45 57.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.143 -175.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.14 45.32 56.66 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 121.118 -0.563 . . . . 0.0 113.087 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.834 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -146.94 168.85 20.46 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.086 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.551 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 3.2 p -87.07 143.27 27.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.958 0.408 . . . . 0.0 111.598 -175.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -53.21 -41.35 65.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.981 -174.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -44.15 79.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.424 -176.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.834 ' HB2' HD11 ' A' ' 42' ' ' LEU . 4.8 mt-30 -70.22 -35.6 73.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.337 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.402 ' CG2' HD11 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -61.81 -44.52 96.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.184 0.516 . . . . 0.0 110.099 175.892 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.402 ' HB2' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -64.81 -43.95 91.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.534 177.776 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -57.83 -43.12 85.61 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.462 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.588 ' CZ3' ' HG3' ' A' ' 54' ' ' ARG . 69.6 t90 -70.52 -47.04 62.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.8 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -56.05 -44.05 78.47 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.201 0.524 . . . . 0.0 110.13 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -40.9 97.37 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.455 -179.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.55 -32.43 73.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.887 0.375 . . . . 0.0 110.568 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.588 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 0.9 OUTLIER -73.67 -35.83 65.27 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.568 179.027 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.1 tp -53.64 -41.1 66.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.568 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.82 -49.33 47.53 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.988 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -63.5 -37.61 87.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.412 -177.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 8.1 t90 -58.62 -48.43 81.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.93 0.395 . . . . 0.0 110.788 -178.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -66.02 -37.73 86.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.71 -176.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.51 -61.65 1.74 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.878 0.37 . . . . 0.0 111.884 -178.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.6 m -75.64 -53.14 9.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.125 -172.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -66.46 -35.57 80.62 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.212 0.53 . . . . 0.0 109.793 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.61 158.06 33.87 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.95 173.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.591 HD13 ' HD2' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -109.98 126.89 28.07 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 175.073 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.591 ' HD2' HD13 ' A' ' 64' ' ' LEU . 70.9 Cg_endo -73.68 49.64 1.87 Allowed 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 123.224 2.616 . . . . 0.0 113.159 -175.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.32 137.91 31.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.99 177.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.79 -178.66 6.65 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -178.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.38 -23.4 46.82 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 173.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -84.77 -174.96 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.616 172.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -176.94 0.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.852 175.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.3 p -57.28 118.15 1.79 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 121.187 0.517 . . . . 0.0 110.203 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.91 77.79 5.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.185 -172.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.3 t70 . . . . . 0 C--O 1.246 0.873 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.35 176.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.522 -0.123 0 CA-C-O 121.319 0.581 . . . . 0.0 109.461 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -23.45 59.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.909 174.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -114.65 -179.31 3.59 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.957 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.44 141.57 24.99 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.248 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m 55.98 69.74 0.71 Allowed 'General case' 0 C--N 1.331 -0.225 0 O-C-N 123.677 0.611 . . . . 0.0 110.857 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -96.08 -34.5 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.947 -175.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 m 61.03 -160.84 0.3 Allowed 'General case' 0 CA--C 1.534 0.349 0 O-C-N 123.577 0.548 . . . . 0.0 110.843 -175.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.34 -171.98 50.47 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.493 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -88.11 135.36 3.26 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 123.313 2.675 . . . . 0.0 112.199 177.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.15 178.21 7.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.958 0.408 . . . . 0.0 111.357 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -56.96 -39.1 73.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.983 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -65.73 -36.33 83.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.114 0.483 . . . . 0.0 110.531 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -72.31 -35.72 68.73 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.191 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.66 -36.18 68.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.503 177.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.86 -46.66 84.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.904 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.587 HG23 ' HB2' ' A' ' 40' ' ' ALA . 0.9 OUTLIER -70.14 -42.05 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-O 121.01 0.434 . . . . 0.0 110.274 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -48.15 82.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.284 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.521 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 1.0 OUTLIER -59.64 -37.35 78.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.118 -177.832 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -64.14 -49.86 70.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.411 ' O ' HG13 ' A' ' 24' ' ' VAL . 79.5 m-20 -60.8 -57.61 11.94 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.366 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.403 ' CB ' ' HZ3' ' A' ' 50' ' ' TRP . 20.6 t80 -54.8 -40.64 69.7 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.351 0.407 . . . . 0.0 111.581 -173.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -70.18 -33.56 71.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.04 0.447 . . . . 0.0 111.254 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -45.79 9.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.19 -172.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.411 HG13 ' O ' ' A' ' 20' ' ' ASN . 6.7 p -69.25 -66.47 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -172.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -174.68 153.05 1.72 Allowed 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 111.171 -172.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -71.13 -33.61 70.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.898 170.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -122.58 81.13 47.5 Favored Pre-proline 0 N--CA 1.453 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.29 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.526 ' HG2' ' CD2' ' A' ' 51' ' ' PHE . 3.8 Cg_exo -82.15 144.76 13.43 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 123.22 2.614 . . . . 0.0 112.318 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.3 160.25 65.64 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.313 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -54.85 -28.93 60.7 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.835 2.356 . . . . 0.0 112.14 173.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -45.76 93.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.105 176.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.526 ' O ' HG12 ' A' ' 36' ' ' ILE . 9.7 m -61.71 -43.33 99.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.996 174.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.631 HD23 ' HB2' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -55.76 -45.98 77.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.231 -179.362 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.1 m -56.26 -51.48 67.99 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -177.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.402 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -70.47 -39.07 74.48 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.825 -174.154 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.526 HG12 ' O ' ' A' ' 32' ' ' THR . 15.3 pt -74.74 -32.77 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.918 -178.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 33' ' ' LEU . . . -64.15 -45.41 88.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.757 0.313 . . . . 0.0 110.16 177.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.65 -36.18 81.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.968 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.85 -47.1 69.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.93 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.831 ' HB1' HD12 ' A' ' 42' ' ' LEU . . . -77.86 -22.38 49.94 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.917 -176.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.28 0.91 61.15 Favored Glycine 0 N--CA 1.453 -0.177 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -176.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.831 HD12 ' HB1' ' A' ' 40' ' ' ALA . 2.9 mp -78.52 177.85 8.22 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.678 -0.761 . . . . 0.0 111.43 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.73 177.92 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.411 174.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.401 ' O ' HD22 ' A' ' 33' ' ' LEU . 34.9 mp0 -55.98 -50.24 71.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.994 -178.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -63.91 -49.23 73.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.268 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -57.04 -50.23 73.37 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.438 -178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.6 m -61.47 -46.58 89.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.262 -176.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.631 ' HB2' HD23 ' A' ' 33' ' ' LEU . 5.6 tp-100 -66.35 -42.98 87.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.808 0.337 . . . . 0.0 110.623 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.76 -45.72 91.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.663 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.521 ' HH2' ' HA ' ' A' ' 18' ' ' GLU . 78.3 t90 -67.24 -46.36 74.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.005 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.526 ' CD2' ' HG2' ' A' ' 28' ' ' PRO . 5.1 m-85 -58.47 -42.74 88.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.388 . . . . 0.0 110.133 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.536 ' HA ' ' HB2' ' A' ' 55' ' ' LEU . 1.5 tptt -70.96 -29.16 65.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 178.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -36.89 82.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.054 177.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.511 ' HG3' ' CH2' ' A' ' 50' ' ' TRP . 1.2 mmt180 -80.03 -24.41 40.77 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.536 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -58.54 -44.66 89.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.782 174.342 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.22 -40.69 96.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.347 175.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 4.1 mm-40 -59.73 -49.22 78.58 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.597 177.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.444 ' CE3' HD21 ' A' ' 55' ' ' LEU . 2.7 t90 -60.46 -46.66 89.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.359 . . . . 0.0 110.381 178.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -36.75 81.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.647 -177.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' A' ' 57' ' ' GLU . 17.0 ptt180 -82.46 -23.56 34.69 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.226 179.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.1 m -69.74 -61.45 1.78 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.605 0.241 . . . . 0.0 110.93 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.47 -35.83 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.372 . . . . 0.0 111.429 -175.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.76 167.34 43.4 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.402 -174.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.439 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 1.3 mp -119.64 136.34 24.68 Favored Pre-proline 0 C--N 1.32 -0.705 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.477 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 8.0 Cg_exo -71.39 60.41 2.61 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.962 2.442 . . . . 0.0 112.264 177.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.5 m -149.06 151.66 34.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.375 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -175.6 94.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.3 m 71.47 -48.9 0.68 Allowed 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.731 0.644 . . . . 0.0 110.488 -173.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -85.74 170.93 12.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.768 174.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.9 m -75.48 -174.85 2.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.124 0.487 . . . . 0.0 111.547 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -69.35 126.13 28.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.217 -178.721 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.59 74.71 6.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.005 0.431 . . . . 0.0 109.916 173.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.8 t70 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.339 -0.839 . . . . 0.0 109.405 178.644 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.222 0 CA-C-O 120.637 0.256 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.57 130.57 44.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.915 0.388 . . . . 0.0 111.544 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.33 -51.02 63.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.282 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.82 87.97 7.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.234 0.54 . . . . 0.0 110.018 179.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.12 -42.76 2.57 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.083 -178.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -59.34 3.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.007 -177.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.8 m -141.1 169.15 18.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.589 -176.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.63 -153.48 6.65 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 177.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -65.82 107.04 1.02 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.66 2.24 . . . . 0.0 111.848 178.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.99 172.03 13.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.968 -178.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.29 -49.74 75.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 111.395 -176.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -66.26 -26.76 67.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.07 0.462 . . . . 0.0 110.594 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.414 ' CD ' HD13 ' A' ' 42' ' ' LEU . 47.9 tp60 -72.72 -40.08 66.42 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.506 177.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 62.3 t -65.99 -31.88 55.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.988 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -54.24 -35.25 62.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 176.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.4 mt -83.73 -46.58 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-O 121.11 0.481 . . . . 0.0 109.925 177.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.485 HD11 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -59.01 -45.92 89.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.939 -176.089 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.492 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 1.0 OUTLIER -58.32 -47.2 84.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.096 0.474 . . . . 0.0 110.256 179.339 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.567 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.7 t80 -60.14 -42.56 95.09 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.683 178.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -58.37 -60.3 4.0 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.692 176.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -57.42 -46.6 83.35 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.263 -171.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -80.65 -11.17 59.68 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.771 -174.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.567 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -95.72 -35.88 11.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.515 0.198 . . . . 0.0 111.439 -179.846 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 p -78.56 -65.37 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.288 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.1 t30 171.08 150.8 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -170.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -67.45 -19.11 65.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.015 0.436 . . . . 0.0 111.227 -176.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -113.43 108.88 51.75 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 120.973 0.416 . . . . 0.0 111.074 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.24 117.13 4.97 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.748 2.299 . . . . 0.0 112.59 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.55 162.06 54.51 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -52.46 -44.55 46.18 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.464 2.109 . . . . 0.0 112.173 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -39.29 92.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.967 178.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.03 -47.31 65.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.3 mt -58.09 -46.05 86.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.295 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.93 -41.62 99.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.838 -176.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -38.07 47.93 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.62 0.248 . . . . 0.0 110.689 -177.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.543 HG23 HG22 ' A' ' 47' ' ' THR . 7.2 mt -71.01 -41.91 76.85 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.096 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.382 -178.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -59.95 -39.94 87.29 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 175.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.45 -49.11 74.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.624 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -61.99 -48.01 82.25 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.52 -22.58 50.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.8 -176.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.91 -15.97 57.76 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.885 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.425 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 4.5 mp -70.71 165.57 22.69 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 123.25 0.62 . . . . 0.0 112.365 178.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.45 162.96 16.18 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 170.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -56.45 -43.67 79.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.435 0.459 . . . . 0.0 112.004 -176.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -57.52 -41.32 80.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.16 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -72.11 -37.08 69.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.132 -177.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.543 HG22 HG23 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -70.28 -43.33 70.67 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.668 -179.231 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -61.5 -42.61 99.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.604 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.17 -33.62 76.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.843 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.492 ' HH2' ' HA ' ' A' ' 18' ' ' GLU . 80.3 t90 -77.77 -46.81 20.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.751 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -59.26 -39.38 82.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.984 0.421 . . . . 0.0 110.118 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.451 ' HA ' HD22 ' A' ' 55' ' ' LEU . 8.8 mtpt -66.57 -26.91 67.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.079 178.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -36.19 77.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.008 0.432 . . . . 0.0 109.9 177.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.427 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 3.2 mmp_? -77.22 -23.86 51.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.678 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.49 HD12 ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -58.45 -40.02 81.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.185 0.517 . . . . 0.0 109.729 175.343 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.92 -35.12 74.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.814 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' HG3' ' HG2' ' A' ' 60' ' ' ARG . 1.0 OUTLIER -82.98 -29.44 29.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.379 -178.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.544 ' HD1' ' HG3' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -55.34 -31.81 62.0 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.155 0.502 . . . . 0.0 110.769 -177.128 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.452 ' HA ' HD23 ' A' ' 64' ' ' LEU . 27.5 mtp180 -66.23 -30.79 71.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.854 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.424 ' HG2' ' HG3' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -83.61 -29.23 27.91 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.106 -0.238 . . . . 0.0 111.149 179.209 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -81.21 -51.27 8.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.762 0.315 . . . . 0.0 111.304 -178.187 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.544 ' HG3' ' HD1' ' A' ' 58' ' ' TRP . 5.3 mm-40 -85.36 -19.07 31.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.513 -175.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.13 91.68 1.34 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.51 -0.853 . . . . 0.0 113.027 176.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.469 HD12 ' CD ' ' A' ' 65' ' ' PRO . 3.3 mm? -113.88 157.23 42.45 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 175.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.589 ' HB2' ' HB ' ' A' ' 71' ' ' VAL . 38.5 Cg_exo -62.94 97.87 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.715 2.277 . . . . 0.0 112.743 178.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 m 69.3 147.34 0.06 Allowed 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.603 0.716 . . . . 0.0 112.37 177.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.96 -32.97 7.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.855 179.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.8 m -65.82 -61.46 2.05 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.006 0.431 . . . . 0.0 110.053 177.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.77 147.59 22.74 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 175.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.9 m -90.11 83.28 6.04 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.276 0.56 . . . . 0.0 110.395 -178.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.589 ' HB ' ' HB2' ' A' ' 65' ' ' PRO . 1.4 t -94.64 162.34 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.52 177.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.7 172.54 10.23 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.638 -175.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.139 -179.672 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.455 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.45 -174.57 3.54 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.759 -177.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.27 -49.87 52.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.354 0.597 . . . . 0.0 109.863 175.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -96.07 94.94 7.84 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.379 176.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.523 ' HB ' ' H ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 43.96 -116.83 0.49 Allowed 'General case' 0 CA--C 1.533 0.308 0 O-C-N 123.776 0.672 . . . . 0.0 110.913 -175.161 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.523 ' H ' ' HB ' ' A' ' 5' ' ' THR . 1.8 t -125.04 42.31 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 172.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.53 47.83 8.13 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.975 -175.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 128.36 -130.92 6.75 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.583 -177.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -78.08 172.87 14.79 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 123.164 2.576 . . . . 0.0 112.036 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.449 ' HA ' HG22 ' A' ' 6' ' ' VAL . 0.5 OUTLIER -74.47 163.66 27.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.34 178.268 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -36.47 81.92 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.85 -40.52 88.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.353 175.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -72.49 -39.1 67.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.871 178.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 t -57.92 -34.94 49.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.358 176.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.33 -42.38 98.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.294 177.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.8 mt -66.22 -47.08 85.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.397 0.618 . . . . 0.0 109.444 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.401 ' HB3' ' CH2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -58.48 -46.95 85.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.112 178.061 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.455 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 17.1 tp10 -58.18 -43.76 87.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -63.8 -48.83 75.27 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 177.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -56.44 -59.76 4.51 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.804 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -54.15 -46.38 72.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.288 -174.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -64.61 -44.94 88.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.688 -176.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -92.93 -35.53 13.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.98 0.734 . . . . 0.0 112.98 -170.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.82 HG23 HG22 ' A' ' 32' ' ' THR . 5.4 p -68.21 -43.2 84.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -169.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.611 ' N ' HG13 ' A' ' 24' ' ' VAL . 1.0 OUTLIER 178.71 -17.4 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -175.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm 73.35 -56.39 0.66 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.169 0.588 . . . . 0.0 110.136 -173.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.454 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -72.5 127.61 89.77 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.489 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.769 ' HG3' ' HB3' ' A' ' 51' ' ' PHE . 12.4 Cg_exo -70.45 84.89 0.74 Allowed 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 123.061 2.507 . . . . 0.0 112.539 -178.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.24 138.07 64.45 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 176.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -58.09 -39.52 84.85 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 123.141 2.561 . . . . 0.0 112.71 -174.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.37 -46.29 90.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.967 0.413 . . . . 0.0 110.494 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.82 HG22 HG23 ' A' ' 24' ' ' VAL . 55.0 m -61.89 -46.34 89.81 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.12 176.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.536 HD11 ' HB2' ' A' ' 48' ' ' GLN . 75.0 mt -55.44 -51.31 67.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.126 -172.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.404 ' HA ' ' CG ' ' A' ' 44' ' ' GLU . 12.3 m -62.68 -36.73 83.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.717 0.294 . . . . 0.0 111.567 -177.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.7 mt -77.23 -50.36 13.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.567 -176.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.464 HG23 HG23 ' A' ' 32' ' ' THR . 4.3 pt -72.56 -27.91 26.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.589 -174.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -61.44 -44.86 96.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.979 0.419 . . . . 0.0 110.156 177.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.97 -39.75 94.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.564 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -64.51 -42.84 95.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.164 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.77 -22.43 50.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.37 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.38 30.74 15.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.793 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.6 tp -123.49 162.49 22.78 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -177.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.6 p -84.82 151.15 24.54 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.334 -0.546 . . . . 0.0 109.934 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.404 ' CG ' ' HA ' ' A' ' 34' ' ' CYS . 36.9 mp0 -55.4 -42.72 74.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.022 -178.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -61.4 -43.89 98.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.181 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -65.95 -45.47 81.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.979 0.418 . . . . 0.0 110.367 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.0 m -59.18 -43.79 92.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.425 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.536 ' HB2' HD11 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -62.9 -41.34 99.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.638 179.681 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -43.64 98.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.982 0.42 . . . . 0.0 110.833 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.588 ' CZ3' ' HG3' ' A' ' 54' ' ' ARG . 69.5 t90 -67.06 -45.75 76.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.463 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.769 ' HB3' ' HG3' ' A' ' 28' ' ' PRO . 2.5 m-85 -56.48 -40.82 75.55 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.178 0.513 . . . . 0.0 110.253 178.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -61.15 -42.26 98.24 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.819 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -32.99 71.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.702 0.287 . . . . 0.0 111.013 -176.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.588 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 0.3 OUTLIER -70.17 -38.23 75.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.739 0.304 . . . . 0.0 110.344 177.364 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 tp -59.67 -41.73 91.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.642 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 60' ' ' ARG . . . -65.15 -45.77 83.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.596 177.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -63.81 -43.49 96.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.867 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -55.5 -43.06 75.28 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.852 -177.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.9 mtm-85 -64.25 -24.47 67.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 26.0 mtm-85 -83.5 -50.22 8.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.35 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -52.74 12.28 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -175.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -71.31 -35.3 71.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.987 0.422 . . . . 0.0 109.898 -178.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.06 156.04 27.06 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.277 178.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.543 HD11 ' HD2' ' A' ' 65' ' ' PRO . 0.3 OUTLIER -119.89 134.37 23.95 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.054 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.543 ' HD2' HD11 ' A' ' 64' ' ' LEU . 61.4 Cg_endo -73.46 69.49 4.21 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.539 2.159 . . . . 0.0 111.682 175.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.92 -48.75 57.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.121 -178.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.43 104.86 13.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.626 -178.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.7 m 63.9 -177.87 0.16 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.85 91.51 8.68 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 173.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.55 165.23 14.18 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.704 -176.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.4 p -100.16 114.43 38.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 173.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.65 145.02 36.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.014 -174.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.173 -0.918 . . . . 0.0 108.94 176.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.879 0.371 . . . . 0.0 110.579 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -55.68 12.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.047 -179.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.33 22.94 6.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.996 0.427 . . . . 0.0 110.78 -177.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -77.38 128.95 35.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.179 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.21 121.03 17.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.051 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.1 t -132.97 127.06 54.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.163 177.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.94 58.9 2.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.678 0.751 . . . . 0.0 110.614 176.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.451 ' HA2' ' NE2' ' A' ' 46' ' ' GLN . . . 167.33 -147.81 12.27 Favored Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.02 -177.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.64 126.83 13.13 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.831 2.354 . . . . 0.0 111.821 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.12 -172.56 2.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.859 178.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -56.45 -49.74 73.72 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.954 0.407 . . . . 0.0 111.506 -175.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 1.8 t70 -72.25 -32.69 66.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.886 0.374 . . . . 0.0 110.897 -177.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 -70.71 -39.54 73.35 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.343 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.7 t -62.65 -35.69 71.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.871 175.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.428 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.7 OUTLIER -58.73 -49.55 77.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.847 177.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.1 mt -64.81 -38.03 81.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 121.434 0.635 . . . . 0.0 110.153 178.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.49 -48.07 73.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.079 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.551 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.4 OUTLIER -61.03 -38.69 87.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.714 179.692 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.476 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 16.4 t80 -58.12 -40.04 80.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.846 176.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -75.23 -48.21 24.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.305 -177.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.58 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 84.7 t80 -56.75 -40.18 75.34 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.736 0.303 . . . . 0.0 111.567 -176.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -82.42 -19.93 38.06 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -178.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 3.7 mmtt -94.09 -36.59 12.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.741 0.305 . . . . 0.0 111.397 -178.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 77.2 t -78.57 -80.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.075 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 178.07 165.2 0.72 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -176.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 13.5 mttt -88.1 33.22 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -172.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.55 129.7 12.04 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.455 176.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -74.52 77.69 2.89 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.444 2.096 . . . . 0.0 112.152 176.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.22 142.51 82.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.505 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -53.04 -39.83 78.47 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.117 2.545 . . . . 0.0 112.871 -177.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.67 -49.37 77.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.042 0.449 . . . . 0.0 111.37 -179.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.73 -33.82 71.25 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.244 -178.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.445 HD21 ' HG3' ' A' ' 48' ' ' GLN . 2.9 tp -54.75 -51.44 65.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.951 -175.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -36.57 83.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.953 0.406 . . . . 0.0 111.037 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 mt -73.95 -50.28 20.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.43 -176.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.473 HG13 HG23 ' A' ' 47' ' ' THR . 7.0 pt -68.22 -30.96 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -175.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.62 -46.85 77.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.931 0.396 . . . . 0.0 110.493 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.98 -36.59 78.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 178.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -69.24 -39.86 78.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.398 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.15 -13.64 52.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.772 0.32 . . . . 0.0 111.325 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.51 37.66 46.18 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.395 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.781 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -136.47 169.01 18.39 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -177.095 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.571 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 18.0 p -88.9 148.49 23.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.273 0.559 . . . . 0.0 112.309 -172.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -48.94 -49.12 41.83 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 114.913 -1.04 . . . . 0.0 113.647 -174.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.571 ' OE2' ' HB ' ' A' ' 43' ' ' THR . 0.1 OUTLIER -53.41 -49.13 67.92 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.426 0.454 . . . . 0.0 111.646 -173.83 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.781 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -67.12 -43.56 82.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.786 -178.179 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.473 HG23 HG13 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -58.48 -50.08 75.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.733 179.532 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.445 ' HG3' HD21 ' A' ' 33' ' ' LEU . 1.8 tt0 -62.17 -47.86 82.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.948 -177.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -63.12 -38.9 92.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.876 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.624 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 84.3 t90 -66.59 -53.57 32.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.07 -178.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.458 ' CZ ' HD13 ' A' ' 36' ' ' ILE . 16.3 m-85 -57.97 -37.47 74.24 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.909 0.385 . . . . 0.0 110.502 -177.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -67.42 -42.01 83.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.697 178.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -36.13 83.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.964 -178.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' ' 50' ' ' TRP . 13.3 mmm180 -70.22 -36.59 74.65 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 110.462 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -37.43 87.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.245 178.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.69 85.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.356 175.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.55 -38.56 91.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.968 178.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.423 ' CE3' ' HG2' ' A' ' 59' ' ' ARG . 2.2 t90 -55.16 -42.5 73.22 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.204 -177.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.682 ' HD2' HD13 ' A' ' 64' ' ' LEU . 7.2 mmm180 -62.53 -26.77 68.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.535 -177.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.19 -45.51 14.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.259 178.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.7 -44.21 97.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.979 178.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.426 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 1.1 tp10 -64.61 -29.58 70.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.652 178.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 64.91 54.51 27.63 Favored Glycine 0 C--N 1.333 0.412 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.786 177.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.682 HD13 ' HD2' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -102.25 127.72 30.05 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-O 120.549 0.214 . . . . 0.0 110.563 -179.589 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 64' ' ' LEU . 4.5 Cg_endo -86.99 -76.43 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 122.9 2.4 . . . . 0.0 111.072 174.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.9 m -157.64 109.58 2.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.506 -0.77 . . . . 0.0 108.965 176.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.33 114.16 1.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.279 0.362 . . . . 0.0 111.514 -177.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.7 m 63.79 10.86 5.45 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.323 0.649 . . . . 0.0 112.194 177.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -118.75 -174.32 2.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.443 -177.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.96 116.39 3.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.474 -178.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.4 p -75.42 121.54 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.156 0.503 . . . . 0.0 110.759 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.96 82.31 7.63 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.327 0.584 . . . . 0.0 110.439 178.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.6 t0 . . . . . 0 C--O 1.248 1.014 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.131 -178.029 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 p -131.71 -90.06 0.43 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -136.68 -57.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.519 175.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -84.03 88.35 7.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.493 0.663 . . . . 0.0 109.904 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.62 -56.86 0.24 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.882 178.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 p -131.96 111.98 19.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.362 0.601 . . . . 0.0 110.206 176.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.1 m -149.3 144.79 26.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.938 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.2 -174.57 16.93 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.949 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HB2' HG21 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -83.87 142.89 10.29 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 123.108 2.539 . . . . 0.0 112.592 179.665 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.437 ' HB ' ' OD1' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -75.46 168.65 19.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.447 177.619 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.4 ' CD ' ' H ' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -59.5 -41.24 89.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.904 0.383 . . . . 0.0 111.146 -176.076 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.437 ' OD1' ' HB ' ' A' ' 10' ' ' THR . 12.8 p-10 -67.02 -35.34 79.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.698 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.447 ' HA ' HD12 ' A' ' 16' ' ' ILE . 8.2 tp-100 -73.49 -39.06 65.16 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.402 HG21 ' HB2' ' A' ' 9' ' ' PRO . 38.1 t -59.58 -32.56 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.61 177.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -47.86 83.84 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.831 0.348 . . . . 0.0 110.354 175.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.622 HG21 ' HB1' ' A' ' 40' ' ' ALA . 12.1 mt -65.7 -39.98 86.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.064 178.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.507 HD13 HG21 ' A' ' 47' ' ' THR . 0.2 OUTLIER -64.85 -50.27 67.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.44 -179.129 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.579 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.8 OUTLIER -64.38 -43.46 94.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.623 -177.792 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.58 -49.43 74.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.072 177.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -66.24 -47.8 72.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.011 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.474 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 25.5 t80 -55.06 -46.17 75.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.693 -178.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.524 ' OD1' ' HE3' ' A' ' 26' ' ' LYS . 1.2 m-20 -72.8 -36.84 67.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 -178.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -71.75 -40.43 69.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.123 -175.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.781 HG13 HG22 ' A' ' 32' ' ' THR . 86.3 t -68.72 -87.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.904 0.383 . . . . 0.0 111.072 -175.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -158.39 12.32 0.18 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.202 -174.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.524 ' HE3' ' OD1' ' A' ' 22' ' ' ASN . 10.4 mttp 52.97 36.44 21.96 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-O 121.426 0.631 . . . . 0.0 110.724 -174.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.512 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -140.61 131.5 13.78 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.219 -177.14 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.512 ' HD3' ' HA ' ' A' ' 27' ' ' HIS . 6.1 Cg_exo -78.66 68.17 8.2 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 123.03 2.487 . . . . 0.0 112.154 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -77.72 141.41 64.42 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.291 178.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 29' ' ' ASP . 41.0 Cg_exo -56.15 -56.33 2.19 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 123.647 2.898 . . . . 0.0 112.769 -176.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -36.34 73.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.763 -177.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.781 HG22 HG13 ' A' ' 24' ' ' VAL . 21.4 m -76.34 -42.62 44.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.124 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.628 HD12 ' HA ' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -59.2 -43.12 92.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.391 -177.817 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 96.3 m -56.8 -36.68 70.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.419 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -78.24 -41.29 34.68 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.648 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.547 HD13 HG21 ' A' ' 32' ' ' THR . 69.6 mt -63.25 -43.99 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.777 -178.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.27 -35.19 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.046 0.45 . . . . 0.0 110.474 177.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.75 -45.51 51.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.602 177.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -62.94 -46.38 88.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.42 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.622 ' HB1' HG21 ' A' ' 16' ' ' ILE . . . -78.35 -23.45 46.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -177.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.42 53.18 7.75 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.201 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.49 ' HG ' ' N ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -150.42 165.27 33.65 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -178.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.49 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 1.4 p -72.47 149.41 44.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.227 0.537 . . . . 0.0 112.109 -172.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -57.72 -46.06 84.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.233 -176.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -48.71 75.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.611 -176.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -59.82 -48.8 80.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.933 0.397 . . . . 0.0 110.375 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.507 HG21 HD13 ' A' ' 17' ' ' LEU . 2.3 m -56.7 -46.34 81.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.251 179.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.628 ' HA ' HD12 ' A' ' 33' ' ' LEU . 1.3 tt0 -65.84 -50.72 63.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.372 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -61.64 -36.82 81.89 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.087 0.47 . . . . 0.0 110.723 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.579 ' HH2' ' HA ' ' A' ' 18' ' ' GLU . 68.6 t90 -68.44 -51.04 48.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.809 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.497 ' CZ ' HD12 ' A' ' 36' ' ' ILE . 5.2 m-85 -57.46 -39.73 76.96 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.397 0.618 . . . . 0.0 110.026 179.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -65.65 -34.89 79.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.546 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -75.0 -30.87 61.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.602 0.239 . . . . 0.0 111.126 -175.852 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.448 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 1.5 mmp_? -72.46 -19.28 61.59 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.202 -177.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.412 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 1.5 mt -56.32 -50.18 72.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.122 -179.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.14 -35.91 76.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.756 0.312 . . . . 0.0 110.778 177.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 53' ' ' GLN . 34.1 mm-40 -62.53 -50.27 72.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.273 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.728 ' HA ' ' HG2' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -59.77 -44.82 93.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.605 -179.391 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.574 ' HG2' HD22 ' A' ' 64' ' ' LEU . 4.7 mtt180 -57.22 -40.52 77.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.405 -178.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -83.59 -61.61 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.472 ' HB2' ' OE2' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -68.22 -51.41 45.71 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -171.231 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.728 ' HG2' ' HA ' ' A' ' 58' ' ' TRP . 3.6 mm-40 -82.8 -36.46 25.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.35 . . . . 0.0 110.701 -174.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.3 166.35 14.95 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.844 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.637 HD11 ' HD2' ' A' ' 65' ' ' PRO . 0.1 OUTLIER -119.67 137.87 26.06 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 -178.641 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.637 ' HD2' HD11 ' A' ' 64' ' ' LEU . 25.7 Cg_endo -63.04 -10.6 21.22 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.959 2.439 . . . . 0.0 112.35 175.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.4 m 65.76 -160.44 0.27 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.92 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 mp0 -77.4 -19.07 56.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.131 0.491 . . . . 0.0 110.417 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.93 161.16 30.42 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.165 177.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -100.65 89.97 4.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.157 0.503 . . . . 0.0 110.368 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.6 m -138.13 131.7 30.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.203 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -83.41 127.75 39.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.051 0.453 . . . . 0.0 111.538 -174.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.22 144.27 29.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.059 175.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.0 t0 . . . . . 0 C--O 1.252 1.236 0 CA-C-O 118.835 -0.603 . . . . 0.0 110.399 -177.207 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 mtp . . . . . 0 N--CA 1.455 -0.214 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.14 -45.88 7.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 166.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -177.78 -168.27 0.17 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.7 175.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.87 90.31 7.85 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 172.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.57 128.19 34.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.301 -177.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.9 t -65.56 123.54 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.247 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.19 106.1 7.61 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.932 -175.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -135.58 77.68 0.36 Allowed Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.491 175.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -73.09 128.41 13.02 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.751 2.301 . . . . 0.0 112.09 -177.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.9 165.88 24.09 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.495 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -57.08 -42.43 80.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.717 0.294 . . . . 0.0 111.204 -177.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.31 -43.81 96.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.644 178.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -69.93 -36.99 75.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.015 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.9 t -62.02 -38.05 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.422 176.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.18 -46.23 88.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 177.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.5 mt -62.59 -36.76 76.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 121.521 0.676 . . . . 0.0 109.687 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.529 HD13 HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER -68.25 -49.31 61.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.312 -179.146 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.576 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -59.78 -42.67 93.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -178.774 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -62.72 -43.78 97.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.218 176.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -66.2 -52.51 47.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.332 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -54.45 -40.24 68.19 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.87 0.367 . . . . 0.0 110.645 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -71.25 -29.11 64.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.535 -177.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.08 -11.11 20.81 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -175.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.453 HG13 HG22 ' A' ' 32' ' ' THR . 15.0 t -78.92 -67.17 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.681 0.277 . . . . 0.0 110.346 178.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -178.17 -179.72 0.75 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -174.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.5 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -82.66 -18.92 39.33 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.241 -0.584 . . . . 0.0 109.483 172.711 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.01 117.6 13.85 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.97 177.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -68.67 151.29 74.9 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.517 2.145 . . . . 0.0 112.72 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -116.17 154.65 48.65 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.888 177.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.91 -46.95 29.87 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.31 2.673 . . . . 0.0 113.292 -176.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -47.55 84.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.793 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.701 HG23 HG23 ' A' ' 36' ' ' ILE . 17.1 m -61.74 -46.41 89.74 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.5 176.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.669 HD22 ' HB2' ' A' ' 48' ' ' GLN . 4.0 tp -55.87 -44.32 78.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.258 -178.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.8 m -68.42 -37.66 80.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.238 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.599 ' HG ' ' N ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -77.25 -46.21 23.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.75 0.309 . . . . 0.0 111.795 -176.235 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.701 HG23 HG23 ' A' ' 32' ' ' THR . 4.6 pt -71.53 -25.44 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 O-C-N 122.26 -0.275 . . . . 0.0 111.244 -175.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.73 -43.79 94.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.103 176.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.9 -35.6 78.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.715 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -68.61 -41.09 80.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.038 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.98 -22.68 42.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.476 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.53 36.8 6.37 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.44 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.5 mt -134.67 174.78 10.19 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.49 173.13 7.1 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 176.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -61.27 -49.27 77.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.799 -175.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -57.04 -49.24 76.44 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.217 0.323 . . . . 0.0 111.474 -176.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -62.8 -45.99 90.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 111.051 -176.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.529 HG22 HD13 ' A' ' 17' ' ' LEU . 3.3 m -66.01 -41.6 90.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.98 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.669 ' HB2' HD22 ' A' ' 33' ' ' LEU . 7.1 tt0 -63.3 -45.63 90.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.376 -178.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -38.4 89.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -178.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.576 ' HH2' ' HA ' ' A' ' 18' ' ' GLU . 78.9 t90 -68.64 -47.91 65.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.586 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -60.43 -34.78 74.47 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.89 0.376 . . . . 0.0 110.421 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.457 ' HE2' ' HG2' ' A' ' 48' ' ' GLN . 7.2 mttm -59.66 -41.82 91.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.041 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -33.97 77.28 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.93 -178.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.487 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 2.4 mmt180 -73.52 -25.42 60.41 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.995 -177.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -41.85 78.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.135 0.493 . . . . 0.0 110.487 179.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' A' ' 60' ' ' ARG . . . -73.94 -43.49 58.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.882 177.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.456 ' OE1' ' HD3' ' A' ' 60' ' ' ARG . 0.4 OUTLIER -63.98 -36.27 83.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.236 -177.66 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.587 ' CD1' ' HG3' ' A' ' 62' ' ' GLU . 3.3 t90 -60.84 -48.1 83.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.929 177.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.4 mtm-85 -62.09 -33.17 73.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.996 -178.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 28.6 mtp180 -69.49 -53.61 18.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.244 0.545 . . . . 0.0 110.615 177.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 m -67.39 -38.22 84.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.381 -173.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.587 ' HG3' ' CD1' ' A' ' 58' ' ' TRP . 1.2 mt-10 -77.36 -33.35 55.31 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.17 -0.212 . . . . 0.0 111.479 -176.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.61 64.51 3.79 Favored Glycine 0 CA--C 1.517 0.186 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.848 178.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.86 119.41 77.03 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 -178.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.632 ' HB3' HG21 ' A' ' 72' ' ' THR . 22.8 Cg_exo -63.37 -64.66 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.847 2.365 . . . . 0.0 112.035 -177.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 p -130.96 -70.38 0.61 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.624 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.7 -122.01 0.14 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.989 175.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.89 52.91 2.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.499 0.666 . . . . 0.0 109.981 177.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.19 157.37 17.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.716 -179.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 m -57.57 139.92 52.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 123.189 0.306 . . . . 0.0 110.523 176.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.89 140.4 13.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-O 120.933 0.397 . . . . 0.0 110.675 -178.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.632 HG21 ' HB3' ' A' ' 65' ' ' PRO . 9.0 t -115.35 125.04 52.73 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.335 0.588 . . . . 0.0 110.944 -176.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.3 t70 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 117.927 -1.035 . . . . 0.0 109.199 176.1 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.05 0.354 . . . . 0.0 112.552 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.06 172.41 13.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.825 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -56.21 -43.3 78.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.375 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -56.95 -34.21 67.8 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.062 0.458 . . . . 0.0 110.888 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -73.38 -36.15 66.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.83 -177.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.3 t -61.25 -31.77 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.473 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -65.9 -44.73 84.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.562 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 11.8 mt -73.49 -33.91 41.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.074 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.543 HD11 HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -68.95 -44.39 73.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.486 -179.591 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -40.34 94.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.805 0.336 . . . . 0.0 110.979 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.426 ' CE2' ' HE2' ' A' ' 23' ' ' LYS . 88.3 t80 -62.58 -44.85 95.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.676 176.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.585 ' O ' HG22 ' A' ' 24' ' ' VAL . 4.7 m-80 -61.94 -47.26 85.69 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.637 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 54' ' ' ARG . 57.3 t80 -54.35 -42.41 70.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.071 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -82.33 -7.39 59.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.524 -176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.426 ' HE2' ' CE2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -115.44 -28.14 6.95 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -174.272 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 20' ' ' ASN . 4.4 m . . . . . 0 CA--C 1.536 0.405 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.491 -177.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo . . . . . 0 C--O 1.234 0.318 0 CA-C-O 120.967 0.32 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -43.46 95.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.541 0.686 . . . . 0.0 110.51 178.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.474 ' O ' HG12 ' A' ' 36' ' ' ILE . 13.4 m -62.77 -46.26 88.84 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.78 -178.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' A' ' 48' ' ' GLN . 1.1 tp -55.39 -54.08 48.16 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -174.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.9 m -58.59 -44.93 90.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.493 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.68 -47.57 62.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.716 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 32' ' ' THR . 27.7 pt -72.63 -31.13 36.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.236 -176.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.42 96.74 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 120.802 0.334 . . . . 0.0 110.702 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.4 95.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.73 -28.64 60.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.85 -22.58 49.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.805 0.336 . . . . 0.0 110.863 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.98 30.94 7.97 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.995 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 69.3 mt -136.47 -167.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.403 ' H ' ' HG3' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -123.02 173.81 7.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.159 174.03 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.75 -47.1 80.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 0.0 110.869 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.3 -49.33 44.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.944 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.403 ' HG3' ' H ' ' A' ' 43' ' ' THR . 1.7 mt-30 -72.3 -38.2 68.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.0 -177.111 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.543 HG23 HD11 ' A' ' 17' ' ' LEU . 5.6 m -67.86 -41.52 82.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.885 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.452 ' HB2' HD21 ' A' ' 33' ' ' LEU . 28.9 tp60 -62.48 -46.63 87.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.312 178.454 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.36 -34.46 73.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.539 -178.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.493 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 72.0 t90 -82.34 -49.42 10.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.981 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.406 ' HD1' ' HA ' ' A' ' 51' ' ' PHE . 0.6 OUTLIER -56.35 -40.24 74.17 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.738 0.304 . . . . 0.0 111.072 -177.485 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -66.18 -31.96 73.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.273 -0.421 . . . . 0.0 112.002 -176.824 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.454 ' HB2' HE21 ' A' ' 53' ' ' GLN . 0.0 OUTLIER -73.18 -31.35 64.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.374 -178.193 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.426 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -76.99 -25.46 52.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.188 178.234 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.482 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -55.27 -44.5 75.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.753 177.9 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.48 -46.49 85.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.997 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 . . . . . 0 C--O 1.234 0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.677 -179.44 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo . . . . . 0 N--CA 1.463 -0.321 0 CA-C-O 120.994 0.331 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.23 162.55 29.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.245 -177.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.58 -44.13 56.71 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -174.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -71.29 -33.75 70.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.819 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.536 ' HA ' HD12 ' A' ' 16' ' ' ILE . 28.9 mm100 -73.12 -35.26 66.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.254 177.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.95 -30.95 49.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.324 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -47.63 77.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.152 0.501 . . . . 0.0 110.164 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 13' ' ' GLN . 14.1 mt -63.01 -33.74 62.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.099 176.094 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.608 HD11 HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -71.68 -49.6 38.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.717 -178.324 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.525 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -58.04 -41.47 83.3 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.873 -178.19 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.455 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 7.7 t80 -65.25 -49.22 70.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.167 177.369 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.699 ' O ' HG12 ' A' ' 24' ' ' VAL . 3.3 m-80 -62.43 -56.46 17.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.165 -176.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.464 ' CB ' ' HZ3' ' A' ' 50' ' ' TRP . 44.9 t80 -55.01 -33.15 62.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.826 -174.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -76.92 -17.49 58.89 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.703 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 19' ' ' TYR . 2.6 mmmt -117.34 -44.71 2.76 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -171.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 20' ' ' ASN . 6.5 p . . . . . 0 CA--C 1.533 0.309 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -170.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo . . . . . 0 C--O 1.232 0.194 0 N-CA-C 112.665 0.217 . . . . 0.0 112.665 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -50.88 63.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.061 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.515 ' O ' HG12 ' A' ' 36' ' ' ILE . 53.6 m -62.44 -45.71 91.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.465 ' CD1' ' HB ' ' A' ' 47' ' ' THR . 0.8 OUTLIER -57.53 -42.01 82.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.923 -174.007 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 68.2 m -66.82 -41.4 87.58 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.477 HD12 HG23 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -76.37 -42.62 44.05 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.167 -0.613 . . . . 0.0 111.249 -177.805 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 32' ' ' THR . 6.3 pt -67.04 -33.19 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.369 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.429 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -62.71 -45.89 90.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.139 0.495 . . . . 0.0 109.89 176.033 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.86 -38.78 92.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.926 177.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 35' ' ' LEU . 11.1 mm-40 -59.89 -40.32 88.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.834 177.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.65 -19.69 48.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.324 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.07 25.22 49.73 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.103 -0.57 . . . . 0.0 111.921 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.728 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -127.02 166.8 16.89 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.172 -0.306 . . . . 0.0 110.172 -175.461 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -79.59 156.45 27.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.009 0.433 . . . . 0.0 111.919 -174.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -63.35 -45.77 89.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.694 -170.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -59.69 -44.06 93.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.614 -173.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.728 ' HB2' HD11 ' A' ' 42' ' ' LEU . 2.1 mt-30 -65.76 -34.96 79.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.852 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.608 HG23 HD11 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -65.35 -49.11 70.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.757 0.313 . . . . 0.0 110.784 178.81 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -65.46 -42.23 92.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.04 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -59.87 -42.08 92.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.499 177.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.687 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . 63.7 t90 -69.63 -44.84 69.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -57.88 -31.98 67.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.113 0.483 . . . . 0.0 109.885 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -76.92 -42.24 40.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.228 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.687 ' HG2' ' HA ' ' A' ' 50' ' ' TRP . 0.6 OUTLIER -65.48 -33.46 75.98 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.006 0.431 . . . . 0.0 110.304 -178.734 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.479 ' HG3' ' CH2' ' A' ' 50' ' ' TRP . 7.3 mmt180 -79.81 -25.99 40.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.69 178.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.426 ' HA ' HD12 ' A' ' 55' ' ' LEU . 12.1 tp -62.3 -40.95 97.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.189 0.519 . . . . 0.0 109.78 174.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.21 -39.97 82.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.488 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.997 179.024 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo . . . . . 0 N--CA 1.458 -0.598 0 CA-C-O 121.09 0.371 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.62 170.12 17.01 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.489 178.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' CD ' ' H ' ' A' ' 11' ' ' GLU . 1.8 mp0 -53.02 -46.6 68.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -175.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -71.66 -29.31 64.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.964 0.411 . . . . 0.0 110.489 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -73.2 -38.91 65.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.701 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.35 -28.57 45.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.226 0.536 . . . . 0.0 109.758 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -61.35 -49.16 78.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.04 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.2 mt -69.35 -33.89 59.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.35 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.642 HD11 HG23 ' A' ' 47' ' ' THR . 0.1 OUTLIER -68.93 -49.68 55.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.591 -177.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.537 ' HG2' ' HZ2' ' A' ' 50' ' ' TRP . 8.5 mm-40 -61.1 -41.3 96.41 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.827 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.482 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -61.99 -39.39 92.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.175 177.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.612 ' O ' HG12 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -70.07 -55.61 9.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.698 -177.034 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.474 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 21.7 t80 -56.6 -33.51 66.31 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.035 0.445 . . . . 0.0 110.685 -177.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -79.87 -12.03 59.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -105.01 -55.04 2.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.665 -175.902 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.612 HG12 ' O ' ' A' ' 20' ' ' ASN . 1.9 p . . . . . 0 C--N 1.33 -0.258 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -175.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo . . . . . 0 C--O 1.234 0.275 0 CA-C-O 120.977 0.324 . . . . 0.0 111.968 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.59 -41.09 89.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.03 179.077 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.443 ' O ' HG12 ' A' ' 36' ' ' ILE . 5.8 m -72.99 -45.5 57.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.872 -177.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.426 ' HA ' HD23 ' A' ' 33' ' ' LEU . 13.8 mt -55.13 -62.07 1.9 Allowed 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -170.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.1 m -69.57 -26.88 64.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -174.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.3 mt -77.3 -48.67 16.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.771 0.32 . . . . 0.0 111.273 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.443 HG12 ' O ' ' A' ' 32' ' ' THR . 3.2 pt -74.36 -25.07 19.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.037 -178.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.417 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -61.93 -36.5 81.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.418 176.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.13 -40.71 86.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.605 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.75 -33.4 73.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.06 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.84 -22.64 24.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.726 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.8 35.95 14.86 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.93 -177.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 42' ' ' LEU . 10.1 mt -123.33 -179.42 4.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 -177.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.403 ' OG1' ' HG3' ' A' ' 46' ' ' GLN . 21.0 p -110.35 164.8 12.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.245 177.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.74 -48.75 78.72 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -176.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.42 -49.24 76.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.603 -175.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.403 ' HG3' ' OG1' ' A' ' 43' ' ' THR . 7.1 mt-30 -62.22 -45.55 92.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -177.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.642 HG23 HD11 ' A' ' 17' ' ' LEU . 2.6 m -67.87 -40.16 83.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.437 -177.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' OE1' ' HE2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -64.53 -46.18 83.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.148 -177.853 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -62.89 -41.11 99.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.402 . . . . 0.0 110.717 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.537 ' HZ2' ' HG2' ' A' ' 18' ' ' GLU . 80.2 t90 -65.55 -49.93 67.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.067 -178.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.474 ' CD2' ' HD2' ' A' ' 21' ' ' PHE . 5.2 m-85 -57.56 -43.22 84.33 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.952 0.406 . . . . 0.0 110.287 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.4 ' HE2' ' OE1' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -63.19 -35.14 79.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.246 179.603 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -30.71 69.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.832 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.423 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 1.7 mmp_? -78.76 -26.78 44.57 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.944 0.402 . . . . 0.0 110.012 176.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.25 -31.11 71.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.328 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.83 -33.75 72.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.437 175.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.99 -179.005 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo . . . . . 0 C--O 1.234 0.311 0 CA-C-O 120.952 0.313 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -79.99 174.58 11.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.824 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -45.7 80.7 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.808 0.337 . . . . 0.0 111.509 -176.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -63.63 -36.42 83.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.006 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -72.02 -40.78 68.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.202 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.3 t -60.27 -37.36 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.144 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.29 -51.16 70.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.603 176.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.7 mt -65.26 -40.08 87.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.936 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.1 mt -69.39 -47.86 62.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.55 -177.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.444 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 2.1 mm-40 -56.91 -47.59 80.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 111.083 -177.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.595 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 7.3 t80 -55.62 -41.74 73.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.579 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -73.92 -46.85 41.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.263 -177.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.68 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 41.6 t80 -58.17 -40.32 81.14 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.069 0.461 . . . . 0.0 111.564 -178.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -85.05 -9.04 58.4 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.356 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.595 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -110.24 8.61 23.66 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -177.674 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.452 HG11 HG21 ' A' ' 32' ' ' THR . 1.6 m . . . . . 0 C--N 1.328 -0.359 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo . . . . . 0 C--O 1.235 0.325 0 CA-C-O 121.328 0.47 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -41.74 84.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.837 178.221 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.452 HG21 HG11 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -61.43 -48.75 79.74 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.971 -178.139 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.4 mt -57.86 -37.8 74.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.0 m -75.59 -52.2 11.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.82 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.662 ' HG ' ' N ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -78.1 -49.43 13.94 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -170.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.662 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -77.24 -25.38 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 120.65 -0.42 . . . . 0.0 112.073 -171.448 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.441 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -63.56 -40.73 97.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.019 0.438 . . . . 0.0 109.928 177.143 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.17 -28.67 65.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.795 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.67 -36.75 60.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.921 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.31 -10.91 47.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.405 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.25 27.42 66.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.973 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 42' ' ' LEU . 11.1 mt -105.88 146.7 29.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.7 0.286 . . . . 0.0 110.325 -176.179 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.32 169.96 15.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.979 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.28 -44.17 68.07 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.21 -174.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.52 ' H ' ' HG3' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -64.41 -43.77 93.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.431 -177.542 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -60.6 -50.91 71.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.503 -175.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.82 -47.26 81.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.305 -176.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -63.21 -48.94 76.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.949 0.404 . . . . 0.0 111.064 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 6.2 tptp -59.88 -47.29 86.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.288 -176.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.68 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 89.2 t90 -66.85 -51.85 50.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.322 -177.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -56.06 -44.92 79.36 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.02 0.438 . . . . 0.0 110.481 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.439 ' HA ' HD12 ' A' ' 55' ' ' LEU . 1.7 ttpp -68.75 -32.71 72.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.249 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.47 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -69.47 -37.23 77.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.465 -179.297 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 50' ' ' TRP . 14.0 mmm180 -72.94 -28.9 62.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.616 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 52' ' ' LYS . 11.3 mt -62.34 -36.07 81.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.358 0.599 . . . . 0.0 110.003 176.171 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.65 -44.49 50.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.072 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.437 ' OE1' ' HD2' ' A' ' 54' ' ' ARG . 86.8 mt-10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.72 -177.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo . . . . . 0 N--CA 1.458 -0.615 0 CA-C-O 120.989 0.329 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -178.36 2.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.393 -178.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -41.38 83.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.78 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -34.66 77.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.479 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -72.3 -43.17 64.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.804 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.5 t -60.99 -27.93 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.166 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -63.25 -46.5 86.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.145 0.497 . . . . 0.0 110.158 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.0 mt -70.36 -45.82 73.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.05 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.729 HD11 HG23 ' A' ' 47' ' ' THR . 0.2 OUTLIER -60.95 -49.36 77.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.036 -176.331 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.427 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 3.0 tp10 -61.06 -40.28 93.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.594 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -64.07 -49.06 73.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.011 176.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.65 ' O ' HG12 ' A' ' 24' ' ' VAL . 44.1 m-20 -54.58 -60.84 2.81 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.317 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.48 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 18.7 t80 -56.48 -44.05 80.22 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.334 0.396 . . . . 0.0 111.467 -174.062 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -73.98 -20.3 60.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.848 -174.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.2 29.67 6.03 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -173.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.65 HG12 ' O ' ' A' ' 20' ' ' ASN . 2.3 p . . . . . 0 CA--C 1.535 0.401 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 171.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo . . . . . 0 CA--C 1.529 0.258 0 N-CA-C 112.742 0.247 . . . . 0.0 112.742 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -49.18 78.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.769 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.477 ' O ' HG12 ' A' ' 36' ' ' ILE . 27.5 m -62.27 -44.02 97.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.229 178.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.428 HD23 HD11 ' A' ' 36' ' ' ILE . 6.2 mt -62.94 -36.67 84.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.066 -174.421 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.1 m -68.0 -44.11 77.33 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.458 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -71.85 -37.18 70.29 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.367 -176.762 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 32' ' ' THR . 33.1 pt -71.06 -37.17 66.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.794 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.94 94.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.999 0.428 . . . . 0.0 110.261 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.24 84.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.904 177.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.421 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 2.1 mm-40 -71.56 -40.35 70.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.09 -22.36 60.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.098 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.25 32.08 40.12 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.696 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.547 ' HG ' ' N ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -131.37 156.92 44.71 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -177.451 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.547 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 4.1 p -72.47 144.17 48.16 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.36 -174.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -51.3 -43.53 61.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.47 -175.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -54.77 -45.81 74.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.469 -177.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -66.8 -41.66 87.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.476 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.729 HG23 HD11 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -61.06 -48.29 82.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.09 0.471 . . . . 0.0 110.647 177.422 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -63.34 -44.37 95.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.858 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -44.76 95.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.733 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.48 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 74.1 t90 -64.21 -47.12 80.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.79 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -59.96 -38.28 82.04 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.028 0.442 . . . . 0.0 110.154 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -30.4 70.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.498 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.414 ' HG2' ' HE ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -68.28 -37.28 80.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.712 0.291 . . . . 0.0 110.452 -179.702 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.414 ' HE ' ' HG2' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -76.82 -18.73 58.22 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.528 -178.162 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -58.99 -33.93 71.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.332 -179.509 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.34 -37.05 63.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.121 0.486 . . . . 0.0 110.691 178.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.96 -177.352 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.828 0.262 . . . . 0.0 112.116 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.26 169.49 18.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.743 177.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.68 -44.24 77.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 110.95 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -35.04 79.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.856 179.035 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -72.9 -41.45 64.62 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.269 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.27 -34.42 66.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.399 177.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -58.08 -52.04 67.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.399 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.5 mt -63.07 -38.34 81.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.056 0.455 . . . . 0.0 110.254 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -62.72 -49.99 72.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.244 -178.505 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.477 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 2.0 tt0 -68.37 -37.55 80.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.816 -177.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -64.06 -42.53 96.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.682 177.043 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -68.14 -44.9 75.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.682 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.44 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 34.4 t80 -55.05 -44.27 74.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.476 178.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -73.15 -34.32 66.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.226 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -79.18 -40.29 31.22 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -175.332 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.473 HG11 HG21 ' A' ' 32' ' ' THR . 54.9 t . . . . . 0 C--N 1.329 -0.287 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -176.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo . . . . . 0 N--CA 1.465 -0.169 0 CA-C-O 120.611 0.171 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -43.64 89.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.094 0.474 . . . . 0.0 110.617 178.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.574 ' O ' HG12 ' A' ' 36' ' ' ILE . 85.1 m -61.88 -37.21 83.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.355 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.413 HD12 HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -55.23 -46.6 75.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.857 -174.086 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 m -61.15 -47.6 85.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.81 -176.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 32' ' ' THR . 0.3 OUTLIER -73.18 -42.76 62.39 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.735 -174.701 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 32' ' ' THR . 46.7 pt -69.16 -29.28 42.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.139 -178.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.67 -42.32 91.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.992 0.425 . . . . 0.0 110.2 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.34 -34.41 74.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.477 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -70.99 -28.72 64.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.18 0.11 47.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.47 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.91 41.06 99.96 Favored Glycine 0 C--N 1.33 0.222 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.795 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.69 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -141.17 173.04 11.87 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -176.855 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.619 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 7.4 p -88.09 152.3 22.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.841 0.353 . . . . 0.0 111.927 -175.065 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.79 -46.24 91.28 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.145 -175.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.476 ' HG2' ' N ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -56.64 -38.14 71.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.173 -176.834 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.69 ' HB2' HD11 ' A' ' 42' ' ' LEU . 3.6 mm100 -72.3 -36.16 68.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.586 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.432 HG22 ' CE1' ' A' ' 51' ' ' PHE . 0.2 OUTLIER -64.83 -49.79 69.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.099 0.476 . . . . 0.0 110.178 179.152 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.11 -46.8 89.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.966 -178.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -38.44 89.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.364 -178.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.477 ' HH2' ' HA ' ' A' ' 18' ' ' GLU . 84.5 t90 -74.42 -49.98 20.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.44 ' CE2' ' HA ' ' A' ' 21' ' ' PHE . 10.2 m-85 -57.5 -41.81 81.5 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.035 0.445 . . . . 0.0 110.725 -177.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -31.43 72.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.201 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -33.54 67.12 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.122 -0.231 . . . . 0.0 110.781 -177.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -71.83 -26.54 62.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.752 0.31 . . . . 0.0 110.983 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -54.67 -43.59 72.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.63 -179.064 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.81 -32.59 62.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.522 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.686 -175.544 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo . . . . . 0 C--O 1.235 0.357 0 CA-C-O 121.174 0.406 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.36 -179.31 7.37 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.674 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.98 -50.01 67.51 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -174.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -33.94 75.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.087 0.47 . . . . 0.0 110.578 -177.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -68.85 -40.72 79.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.352 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.9 t -62.92 -37.47 79.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.869 175.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -59.72 -47.86 83.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.354 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.2 mt -63.17 -37.38 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.397 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.15 -50.81 62.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.189 -178.231 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -59.23 -46.41 88.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.717 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -57.68 -47.6 81.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.305 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.549 ' O ' HG12 ' A' ' 24' ' ' VAL . 2.4 m-80 -65.57 -49.29 69.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.338 -176.071 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.581 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 32.3 t80 -58.37 -43.03 88.24 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.54 0.209 . . . . 0.0 110.538 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -63.58 -27.33 69.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -87.57 -26.99 22.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.638 -177.386 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.82 HG21 HG21 ' A' ' 32' ' ' THR . 6.3 p . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.733 ' HA ' HD12 ' A' ' 33' ' ' LEU . 4.7 Cg_exo . . . . . 0 N--CA 1.461 -0.427 0 CA-C-O 120.818 0.258 . . . . 0.0 112.176 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -49.54 76.72 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -171.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.82 HG21 HG21 ' A' ' 24' ' ' VAL . 2.1 m -69.6 -28.61 66.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.841 0.353 . . . . 0.0 111.562 -177.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 30' ' ' PRO . 37.5 mt -63.24 -41.32 99.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.339 -176.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.5 m -59.67 -49.87 76.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.03 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 32' ' ' THR . 0.8 OUTLIER -67.71 -38.79 84.09 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.144 -176.571 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.585 HD13 ' CZ ' ' A' ' 51' ' ' PHE . 69.1 mt -69.61 -40.22 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.836 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.52 -48.69 80.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.829 0.347 . . . . 0.0 110.465 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.12 99.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.022 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.87 -46.91 87.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.322 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.542 ' HB3' HD23 ' A' ' 42' ' ' LEU . . . -79.54 -13.82 59.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.737 -176.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.91 29.48 60.86 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.998 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.542 HD23 ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -125.32 167.83 14.36 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -178.007 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.61 ' HB ' ' OE1' ' A' ' 45' ' ' GLU . 4.3 p -88.94 142.93 27.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.808 0.337 . . . . 0.0 111.337 -174.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -50.88 -38.74 51.34 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.74 -175.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.61 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 2.0 mp0 -54.14 -48.01 71.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.46 -177.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.528 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 7.5 mt-30 -73.05 -33.4 65.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.828 0.347 . . . . 0.0 110.716 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.409 HG23 HD21 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -66.02 -47.1 75.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.781 179.732 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 52' ' ' LYS . 29.4 tt0 -59.55 -44.43 93.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.834 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -43.67 88.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.908 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.486 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 84.5 t90 -72.66 -49.94 28.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.242 -176.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.585 ' CZ ' HD13 ' A' ' 36' ' ' ILE . 24.4 m-85 -62.98 -27.83 69.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.474 -177.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 3.5 tttp -66.52 -42.13 87.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.058 178.465 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -69.66 -28.32 65.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.784 -177.877 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.444 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 2.4 mmp_? -77.55 -36.08 52.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.283 177.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -55.37 -41.56 72.78 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.144 177.422 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.26 -54.65 33.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.796 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.59 -176.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 CA-C-O 121.141 0.392 . . . . 0.0 112.581 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 p -78.76 167.66 20.87 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.241 177.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -56.3 -36.42 68.64 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -174.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -65.78 -38.54 89.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.249 0.547 . . . . 0.0 110.457 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -73.63 -36.51 65.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.113 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.472 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 16.5 t -64.7 -28.77 45.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.61 -49.4 62.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.85 177.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mt -68.09 -41.67 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.253 177.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.29 -48.78 79.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.569 -177.858 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -62.39 -38.37 89.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.445 179.878 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -61.71 -47.27 86.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.049 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.439 ' O ' ' HB ' ' A' ' 24' ' ' VAL . 11.7 m120 -58.04 -53.49 57.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.333 177.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.527 ' O ' HG12 ' A' ' 24' ' ' VAL . 39.4 t80 -61.22 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.337 . . . . 0.0 111.204 -177.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.2 m-80 -69.36 -38.34 78.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.717 0.294 . . . . 0.0 111.182 -177.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -83.69 -19.55 35.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.769 -177.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 21' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 CA-C-O 121.2 0.524 . . . . 0.0 110.761 178.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 CA--C 1.527 0.159 0 CA-C-O 121.249 0.437 . . . . 0.0 111.414 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -41.53 95.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.678 176.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.449 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.4 OUTLIER -61.63 -48.06 82.57 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.793 179.338 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.0 mt -55.14 -39.13 69.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.161 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.3 t -68.76 -51.31 42.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.304 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' A' ' 32' ' ' THR . 0.9 OUTLIER -70.83 -35.73 72.59 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -173.543 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 32' ' ' THR . 7.4 pt -76.13 -35.2 27.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.884 -179.143 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -65.51 -43.06 91.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.429 . . . . 0.0 110.285 178.251 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.79 -47.46 80.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.84 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -38.46 91.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.468 -178.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.72 -22.22 37.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.507 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.92 33.85 25.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.585 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.614 HD11 ' HB2' ' A' ' 46' ' ' GLN . 1.1 tp -125.91 153.25 44.49 Favored 'General case' 0 N--CA 1.434 -1.229 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -175.133 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.452 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -86.79 153.41 21.7 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.623 -0.431 . . . . 0.0 112.064 -175.337 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -51.33 -46.35 62.59 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 114.88 -1.055 . . . . 0.0 112.887 -175.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -55.49 -42.02 73.85 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.346 -176.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.614 ' HB2' HD11 ' A' ' 42' ' ' LEU . 29.9 mt-30 -72.5 -43.62 63.38 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.931 -177.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -48.25 82.28 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.983 0.42 . . . . 0.0 110.78 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -38.0 89.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.188 -177.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -47.13 63.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.704 0.287 . . . . 0.0 110.968 -178.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -64.59 -46.69 81.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.69 -178.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.411 ' HZ ' ' HB2' ' A' ' 20' ' ' ASN . 14.0 m-85 -61.72 -37.9 85.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.34 . . . . 0.0 110.102 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.11 -37.38 87.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.099 178.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -42.21 98.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.02 0.438 . . . . 0.0 109.986 178.189 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.51 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 5.3 mmt180 -74.57 -31.0 61.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.334 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.53 -38.03 89.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.037 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.26 -46.87 87.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.961 175.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.667 177.418 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.607 ' HB2' ' HB2' ' A' ' 13' ' ' GLN . 56.7 Cg_endo . . . . . 0 C--O 1.235 0.372 0 CA-C-O 120.78 0.242 . . . . 0.0 112.162 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.98 171.43 14.09 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.737 -177.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -53.05 -43.44 66.65 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.514 -176.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -45.62 81.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.778 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.607 ' HB2' ' HB2' ' A' ' 9' ' ' PRO . 28.5 mm100 -72.94 -35.43 66.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.858 -177.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.4 t -56.38 -35.34 43.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.487 178.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -46.19 82.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.443 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.428 HG21 ' HA ' ' A' ' 40' ' ' ALA . 21.5 mt -67.98 -33.84 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.539 0.685 . . . . 0.0 110.463 178.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.602 HD11 HG23 ' A' ' 47' ' ' THR . 0.1 OUTLIER -71.31 -49.23 44.82 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.844 -177.03 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 2.5 mt-10 -59.63 -41.43 90.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.3 -176.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -42.46 96.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 0.0 110.037 177.29 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -67.5 -51.44 51.07 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.801 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.602 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 32.8 t80 -58.06 -41.37 83.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.567 0.222 . . . . 0.0 110.595 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.6 t-20 -61.17 -41.88 97.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.061 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 3.42 47.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.356 -178.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.326 -0.426 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -176.319 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo . . . . . 0 N--CA 1.459 -0.527 0 N-CA-C 112.647 0.21 . . . . 0.0 112.647 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -50.01 67.95 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -170.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.422 ' O ' HG12 ' A' ' 36' ' ' ILE . 1.7 m -68.77 -28.85 67.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 111.52 -178.231 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.423 HD21 ' HB2' ' A' ' 48' ' ' GLN . 3.1 tp -67.58 -43.22 81.11 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -172.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -46.64 71.33 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.35 -45.58 31.42 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.488 -175.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.435 HD12 ' CZ ' ' A' ' 51' ' ' PHE . 39.0 pt -67.09 -32.75 59.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.655 -175.492 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.33 -41.53 89.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.936 0.398 . . . . 0.0 110.207 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.0 -40.7 82.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.586 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.79 -30.11 70.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.45 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.428 ' HA ' HG21 ' A' ' 16' ' ' ILE . . . -85.02 -22.42 29.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.748 0.308 . . . . 0.0 110.703 177.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.93 31.54 59.88 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.18 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.568 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -135.13 165.18 25.99 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 -175.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.452 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 1.1 p -73.35 153.01 40.67 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.415 0.626 . . . . 0.0 112.112 -172.257 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.4 ' HG2' HD23 ' A' ' 33' ' ' LEU . 6.4 mt-10 -60.19 -43.86 95.54 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.157 -0.929 . . . . 0.0 112.335 -176.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 2.0 mp0 -52.53 -49.45 64.82 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.31 0.381 . . . . 0.0 111.784 -175.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.568 ' HB2' HD11 ' A' ' 42' ' ' LEU . 1.4 mt-30 -67.13 -45.16 77.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.531 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.602 HG23 HD11 ' A' ' 17' ' ' LEU . 2.3 m -59.51 -45.32 92.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.137 178.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.423 ' HB2' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -65.44 -45.53 83.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.062 -178.198 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -63.14 -43.69 97.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.612 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.507 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 77.3 t90 -63.95 -48.46 76.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.193 -179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CD2' ' HD2' ' A' ' 21' ' ' PHE . 13.2 m-85 -64.63 -27.34 68.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.562 -178.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.11 -33.43 56.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.995 0.426 . . . . 0.0 110.344 176.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -63.85 -48.29 77.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.553 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.485 ' HG3' ' CH2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -67.44 -25.29 65.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.455 -179.701 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -38.51 91.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.994 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.4 80.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.466 ' HG3' ' HA ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.492 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.966 0.319 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.53 170.76 15.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.342 178.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -51.24 -44.02 61.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.065 0.459 . . . . 0.0 110.439 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -51.9 -51.62 55.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.12 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.511 ' HA ' HD12 ' A' ' 16' ' ' ILE . 29.7 mm100 -72.71 -35.25 67.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.925 -176.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 t -63.56 -29.42 47.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.387 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -66.7 -44.32 81.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.99 0.424 . . . . 0.0 110.319 177.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 13' ' ' GLN . 12.1 mt -66.23 -33.47 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.681 0.753 . . . . 0.0 109.945 176.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.703 HD11 HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -73.03 -49.02 31.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.56 -179.339 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.64 -44.11 85.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.259 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -40.46 94.84 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 177.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.431 ' O ' HG12 ' A' ' 24' ' ' VAL . 1.0 OUTLIER -70.22 -57.13 5.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.692 -175.203 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.427 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 25.2 t80 -54.96 -37.08 66.03 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -173.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.92 -7.12 58.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.221 -0.299 . . . . 0.0 111.762 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.46 -57.21 2.16 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -176.243 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.436 HG21 HG23 ' A' ' 32' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.314 0 CA-C-O 120.542 0.21 . . . . 0.0 111.101 -175.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 C--O 1.234 0.305 0 CA-C-O 121.184 0.41 . . . . 0.0 112.275 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -45.38 94.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.616 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.436 HG23 HG21 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -66.22 -49.02 68.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.219 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.627 ' HB3' ' HG2' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -55.84 -52.41 64.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.531 -0.758 . . . . 0.0 112.048 -172.211 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.3 m -60.71 -41.7 95.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.874 0.368 . . . . 0.0 111.728 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 mt -77.91 -50.17 12.75 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -173.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.539 HG13 ' N ' ' A' ' 37' ' ' ALA . 1.4 pt -80.67 -32.92 13.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -171.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.539 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -64.08 -50.35 68.68 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.757 0.313 . . . . 0.0 110.801 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.3 -45.39 88.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.055 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -34.08 75.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.241 -178.26 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.74 -22.31 60.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.744 0.307 . . . . 0.0 110.75 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.18 23.01 11.78 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.857 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 42' ' ' LEU . 20.9 mt -125.75 -177.5 3.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.0 p -113.94 168.29 9.92 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.19 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.627 ' HG2' ' HB3' ' A' ' 33' ' ' LEU . 1.6 mt-10 -60.21 -45.06 94.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.939 -175.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -63.74 -36.18 83.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.005 -174.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -70.52 -48.57 54.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.059 0.457 . . . . 0.0 110.673 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.703 HG23 HD11 ' A' ' 17' ' ' LEU . 2.6 m -69.6 -36.37 76.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.878 -176.225 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.87 -45.73 92.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.035 0.445 . . . . 0.0 110.536 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.69 -41.47 95.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.753 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.466 ' CH2' ' HG3' ' A' ' 54' ' ' ARG . 83.2 t90 -66.02 -48.7 70.29 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.419 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.427 ' CD2' ' HD2' ' A' ' 21' ' ' PHE . 3.7 m-85 -55.9 -42.97 76.82 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 120.958 0.409 . . . . 0.0 110.05 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -36.87 85.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.293 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.536 ' HG2' ' HD3' ' A' ' 54' ' ' ARG . 10.0 tt0 -60.9 -46.93 88.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.618 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.536 ' HD3' ' HG2' ' A' ' 53' ' ' GLN . 1.5 mmt85 -73.76 -29.67 62.35 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.9 tp -60.99 -46.89 88.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.843 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.35 96.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.642 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.843 -179.634 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo . . . . . 0 N--CA 1.464 -0.24 0 CA-C-O 120.96 0.317 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.59 -179.5 7.15 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.001 -175.514 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.49 -40.23 65.2 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -173.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.86 -43.2 98.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.882 0.373 . . . . 0.0 110.97 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -73.3 -36.1 66.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.276 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.4 t -59.36 -31.54 46.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.83 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.81 -43.64 97.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.959 0.409 . . . . 0.0 110.77 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.5 mt -75.88 -39.64 38.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.917 177.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -63.77 -49.75 71.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.588 -176.4 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.464 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.6 OUTLIER -60.58 -39.32 87.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.746 -177.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -65.93 -45.59 81.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.967 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.445 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -61.74 -50.96 70.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.323 -178.626 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.523 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 68.6 t80 -60.19 -37.42 80.17 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.644 0.259 . . . . 0.0 111.11 -178.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -70.9 -27.37 63.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.796 0.332 . . . . 0.0 110.91 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.86 -41.67 14.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.018 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 21' ' ' PHE . 33.8 m . . . . . 0 N--CA 1.467 0.378 0 CA-C-O 121.09 0.472 . . . . 0.0 110.654 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo . . . . . 0 N--CA 1.472 0.215 0 N-CA-C 113.255 0.444 . . . . 0.0 113.255 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -46.95 66.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.636 -178.259 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.559 HG22 HD13 ' A' ' 36' ' ' ILE . 18.2 m -61.75 -48.95 78.38 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.756 0.312 . . . . 0.0 110.485 176.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.69 HD11 ' HA ' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -58.2 -51.44 69.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.006 -173.823 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.6 m -59.99 -35.09 74.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.93 0.395 . . . . 0.0 111.428 -178.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 35' ' ' LEU . 43.9 mt -77.37 -49.51 14.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.411 -178.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.559 HD13 HG22 ' A' ' 32' ' ' THR . 10.2 pt -68.29 -25.42 31.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.198 -176.386 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.63 -52.3 66.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.078 0.466 . . . . 0.0 110.491 176.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.69 -36.85 85.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.68 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -36.22 82.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.778 177.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.23 -10.97 59.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.027 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.39 34.84 49.56 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.324 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.838 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -142.69 162.44 35.47 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -177.123 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.447 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -76.5 159.94 29.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.427 0.632 . . . . 0.0 112.401 -173.084 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.33 -49.2 78.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.734 -175.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.6 -43.22 97.67 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -173.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.838 ' HB2' HD11 ' A' ' 42' ' ' LEU . 2.0 mm100 -66.77 -37.89 85.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.875 0.369 . . . . 0.0 110.175 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 m -65.44 -43.0 91.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.549 176.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.69 ' HA ' HD11 ' A' ' 33' ' ' LEU . 1.8 tt0 -62.19 -51.47 67.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.871 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -54.96 -36.24 65.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.756 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.606 ' CH2' ' HG3' ' A' ' 54' ' ' ARG . 81.3 t90 -77.11 -51.18 11.48 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.509 -177.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.473 ' CD2' ' HD1' ' A' ' 21' ' ' PHE . 14.1 m-85 -63.03 -33.33 75.19 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.69 0.281 . . . . 0.0 110.567 -175.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -69.98 -36.46 75.21 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.995 0.426 . . . . 0.0 110.239 176.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -40.98 96.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.848 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.606 ' HG3' ' CH2' ' A' ' 50' ' ' TRP . 7.2 mmm180 -71.43 -26.11 62.6 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 120.753 0.311 . . . . 0.0 110.335 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.0 tp -67.92 -32.47 72.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.135 0.493 . . . . 0.0 110.095 177.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.34 -38.3 63.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.074 174.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.803 177.795 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo . . . . . 0 N--CA 1.461 -0.419 0 CA-C-O 121.194 0.414 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.37 -180.0 6.64 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.812 178.051 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.62 -46.04 77.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.959 0.409 . . . . 0.0 110.871 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -62.28 -40.56 96.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.747 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.774 ' HG3' HD11 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -71.64 -35.42 70.4 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.974 -177.211 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.8 t -58.31 -31.28 42.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.588 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.73 -47.65 71.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.35 0.595 . . . . 0.0 110.317 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.8 mt -64.43 -34.06 66.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.468 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -71.78 -49.16 41.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.092 -179.788 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -59.54 -48.19 82.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.513 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.1 t80 -54.05 -43.51 70.29 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.982 0.42 . . . . 0.0 110.325 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.526 ' O ' HG12 ' A' ' 24' ' ' VAL . 4.8 m-80 -69.29 -59.35 3.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.895 -178.308 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.447 ' CB ' ' HZ3' ' A' ' 50' ' ' TRP . 22.5 t80 -55.5 -41.16 72.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.796 -173.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -81.46 -5.79 58.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.707 0.289 . . . . 0.0 111.614 -176.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -104.27 -68.39 0.85 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.358 -178.452 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.72 HG11 HG21 ' A' ' 32' ' ' THR . 1.1 p . . . . . 0 C--O 1.234 0.265 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -172.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo . . . . . 0 C--O 1.232 0.198 0 CA-C-O 120.819 0.258 . . . . 0.0 112.046 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -47.09 85.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.925 179.197 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.72 HG21 HG11 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -78.44 -45.41 22.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.284 -177.006 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.0 mt -54.48 -62.41 1.67 Allowed 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -168.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.58 -32.1 72.61 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -173.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.573 ' HG ' ' N ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -75.58 -47.72 25.48 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.141 -0.223 . . . . 0.0 110.944 -175.781 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.573 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 1.4 pt -78.45 -25.46 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.082 -176.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.419 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -61.17 -50.39 73.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.721 0.296 . . . . 0.0 110.452 176.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.9 92.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.726 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.91 -39.52 79.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.022 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -90.39 15.41 10.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.047 -176.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 61.71 23.68 63.41 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.756 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.774 HD11 ' HG3' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -107.96 -178.76 3.7 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 122.77 0.428 . . . . 0.0 110.026 -178.499 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.02 164.31 16.32 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 174.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -55.63 -49.21 73.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.823 -175.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -61.04 -45.13 96.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.839 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.483 ' HB3' HD23 ' A' ' 42' ' ' LEU . 32.4 mt-30 -55.29 -53.17 59.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.574 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.479 HG23 HD11 ' A' ' 17' ' ' LEU . 1.6 m -62.86 -44.82 95.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.296 -177.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.33 -43.59 85.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.939 -178.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -63.88 -30.91 71.95 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.616 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 85.1 t90 -79.77 -48.98 12.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.435 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -54.71 -47.85 73.21 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.184 0.516 . . . . 0.0 110.561 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -29.96 69.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.563 -177.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.46 -32.57 60.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.742 -177.51 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' A' ' 50' ' ' TRP . 10.6 mmm180 -80.56 -18.17 49.17 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.665 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -49.09 69.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.018 0.437 . . . . 0.0 110.876 178.274 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.4 -29.47 68.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.881 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.915 -179.337 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 C--O 1.233 0.252 0 CA-C-O 121.275 0.448 . . . . 0.0 113.011 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.79 168.94 19.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.617 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.22 -49.19 78.8 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -175.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -66.91 -29.81 69.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.161 0.505 . . . . 0.0 110.755 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -72.84 -37.58 67.37 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.008 175.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.5 t -63.76 -30.33 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.823 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -55.39 -43.46 75.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 0.0 110.612 176.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.0 mt -67.02 -36.21 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.997 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.425 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -68.79 -50.2 52.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.991 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.98 -37.93 86.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.9 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.497 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 72.9 t80 -65.67 -44.78 85.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.169 177.231 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.7 -48.35 72.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.39 -177.229 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.532 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 60.1 t80 -58.54 -36.64 74.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.978 0.418 . . . . 0.0 110.91 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -85.02 -12.49 53.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.969 0.414 . . . . 0.0 111.027 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 5.7 tmtt? -95.54 -36.65 11.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.172 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.466 0.342 0 CA-C-O 121.029 0.443 . . . . 0.0 110.698 177.751 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo . . . . . 0 N--CA 1.464 -0.252 0 N-CA-C 111.191 -0.349 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -37.09 79.34 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.051 176.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.537 HG22 HD13 ' A' ' 36' ' ' ILE . 17.0 m -61.09 -48.17 82.9 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.018 177.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.5 mt -55.9 -44.7 78.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.86 -177.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.0 m -72.75 -38.18 67.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.19 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.1 -48.01 54.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.803 0.335 . . . . 0.0 111.27 -177.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.537 HD13 HG22 ' A' ' 32' ' ' THR . 5.4 pt -69.27 -25.26 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.918 -178.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.85 -52.93 62.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.868 0.366 . . . . 0.0 110.318 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.89 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.957 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -69.86 -45.31 68.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.012 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.45 -18.46 48.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.609 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.06 29.49 17.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.913 -178.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 42' ' ' LEU . 13.4 mt -115.78 161.01 19.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.704 0.288 . . . . 0.0 110.463 -176.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.26 154.41 40.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.649 173.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -48.89 -45.21 40.84 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.57 172.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 4.4 mm-40 -63.96 -39.92 95.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.286 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -61.68 -49.02 78.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.028 -176.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.407 ' O ' ' HD1' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -67.07 -48.72 67.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.794 -179.647 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -59.14 -47.72 84.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.224 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 4.3 mptt -61.89 -44.61 96.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.781 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.539 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 88.2 t90 -68.35 -52.29 34.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.301 -177.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.408 ' CD2' ' HD2' ' A' ' 21' ' ' PHE . 20.2 m-85 -58.81 -39.4 81.03 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.841 0.353 . . . . 0.0 110.512 -176.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -41.5 97.26 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.624 177.344 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.6 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -60.8 -43.89 97.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.42 -179.414 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 50' ' ' TRP . 9.6 mmm180 -71.32 -28.33 64.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.987 -177.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 tp -63.08 -44.96 94.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.044 0.45 . . . . 0.0 110.369 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.93 89.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.659 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.6 ' HG3' ' O ' ' A' ' 53' ' ' GLN . 24.1 mt-10 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.754 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo . . . . . 0 N--CA 1.46 -0.49 0 CA-C-O 121.144 0.393 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -77.47 166.99 22.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.346 177.566 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -59.04 -39.3 81.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.854 0.359 . . . . 0.0 110.724 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -35.88 81.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.957 177.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.514 HE22 ' HB1' ' A' ' 40' ' ' ALA . 10.1 tp-100 -73.01 -37.68 66.87 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.863 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 10' ' ' THR . 54.8 t -59.84 -34.46 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.447 177.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -58.3 -40.56 82.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.096 0.474 . . . . 0.0 110.751 176.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.476 HG21 ' HB2' ' A' ' 40' ' ' ALA . 10.2 mt -73.96 -44.55 50.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.113 177.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.565 HD11 HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -64.17 -49.72 70.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.015 -176.195 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.51 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.8 OUTLIER -59.61 -41.04 89.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.352 . . . . 0.0 110.984 -176.672 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.546 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -65.1 -47.73 76.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.865 177.43 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.633 ' O ' HG12 ' A' ' 24' ' ' VAL . 1.5 m-80 -65.0 -54.83 24.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.368 -175.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.46 ' CB ' ' HZ3' ' A' ' 50' ' ' TRP . 36.7 t80 -54.96 -43.25 73.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.811 -173.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.84 -13.11 59.24 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.701 -0.399 . . . . 0.0 111.07 -178.075 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.546 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 3.8 tmtt? -94.3 -63.41 1.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.748 -176.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.633 HG12 ' O ' ' A' ' 20' ' ' ASN . 1.5 p . . . . . 0 C--O 1.232 0.157 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.174 -173.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.456 -0.701 0 CA-C-O 120.997 0.332 . . . . 0.0 111.376 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -44.25 95.65 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.55 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.519 ' O ' HG12 ' A' ' 36' ' ' ILE . 29.5 m -61.8 -44.9 95.94 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.898 177.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.6 HD22 ' HB ' ' A' ' 47' ' ' THR . 10.9 mt -55.35 -55.41 31.9 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.228 0.33 . . . . 0.0 111.198 -178.021 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.0 m -61.4 -42.15 98.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.285 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.1 -50.19 62.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.517 -177.571 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 32' ' ' THR . 20.7 pt -73.92 -27.35 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.526 -176.305 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -67.48 -40.21 85.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.004 0.43 . . . . 0.0 110.022 176.19 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.27 94.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.201 175.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.57 -48.66 74.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.523 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.514 ' HB1' HE22 ' A' ' 13' ' ' GLN . . . -81.51 -5.45 57.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.143 -175.205 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.14 45.32 56.66 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 121.118 -0.563 . . . . 0.0 113.087 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.876 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -146.94 168.85 20.46 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.086 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.553 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 3.2 p -87.07 143.27 27.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.958 0.408 . . . . 0.0 111.598 -175.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -53.21 -41.35 65.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.981 -174.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -44.15 79.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.424 -176.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.876 ' HB2' HD11 ' A' ' 42' ' ' LEU . 4.8 mt-30 -70.22 -35.6 73.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.337 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.6 ' HB ' HD22 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -61.81 -44.52 96.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.184 0.516 . . . . 0.0 110.099 175.892 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -43.95 91.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.534 177.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -57.83 -43.12 85.61 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.462 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.598 ' CZ3' ' HG3' ' A' ' 54' ' ' ARG . 69.6 t90 -70.52 -47.04 62.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.8 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -56.05 -44.05 78.47 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.201 0.524 . . . . 0.0 110.13 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -40.9 97.37 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.455 -179.021 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.55 -32.43 73.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.887 0.375 . . . . 0.0 110.568 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.598 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 0.9 OUTLIER -73.67 -35.83 65.27 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.568 179.027 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.1 tp -53.64 -41.1 66.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.568 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.82 -49.33 47.53 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.988 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.412 -177.453 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo . . . . . 0 N--CA 1.456 -0.698 0 CA-C-O 120.755 0.231 . . . . 0.0 112.199 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.483 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -78.15 178.21 7.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.958 0.408 . . . . 0.0 111.357 179.689 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -56.96 -39.1 73.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.983 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -65.73 -36.33 83.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.114 0.483 . . . . 0.0 110.531 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -72.31 -35.72 68.73 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.191 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 10' ' ' THR . 79.0 t -60.66 -36.18 68.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.503 177.037 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.86 -46.66 84.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.904 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.14 -42.05 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-O 121.01 0.434 . . . . 0.0 110.274 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -61.19 -48.15 82.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.284 179.648 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.526 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 1.0 OUTLIER -59.64 -37.35 78.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.118 -177.832 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.409 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 48.1 t80 -64.14 -49.86 70.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.398 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.679 ' O ' HG12 ' A' ' 24' ' ' VAL . 79.5 m-20 -60.8 -57.61 11.94 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.366 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.466 ' HE1' HD23 ' A' ' 55' ' ' LEU . 20.6 t80 -54.8 -40.64 69.7 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.351 0.407 . . . . 0.0 111.581 -173.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -70.18 -33.56 71.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.04 0.447 . . . . 0.0 111.254 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -89.56 -45.79 9.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.19 -172.34 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.705 HG21 HG21 ' A' ' 32' ' ' THR . 6.7 p . . . . . 0 C--N 1.327 -0.378 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -172.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.474 ' HA ' ' HB2' ' A' ' 33' ' ' LEU . 64.8 Cg_exo . . . . . 0 CA--C 1.528 0.204 0 CA-C-O 120.725 0.219 . . . . 0.0 112.14 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -45.76 93.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.105 176.23 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.705 HG21 HG21 ' A' ' 24' ' ' VAL . 9.7 m -61.71 -43.33 99.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.996 174.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.807 HD21 ' HB2' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -55.76 -45.98 77.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.231 -179.362 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.1 m -56.26 -51.48 67.99 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -177.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.608 HD12 HG23 ' A' ' 36' ' ' ILE . 0.4 OUTLIER -70.47 -39.07 74.48 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.825 -174.154 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.608 HG23 HD12 ' A' ' 35' ' ' LEU . 15.3 pt -74.74 -32.77 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.918 -178.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.41 88.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.757 0.313 . . . . 0.0 110.16 177.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.65 -36.18 81.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.968 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.85 -47.1 69.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.93 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.86 -22.38 49.94 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.917 -176.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.28 0.91 61.15 Favored Glycine 0 N--CA 1.453 -0.177 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -176.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -78.52 177.85 8.22 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.678 -0.761 . . . . 0.0 111.43 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.73 177.92 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.411 174.319 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -55.98 -50.24 71.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.994 -178.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -63.91 -49.23 73.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.268 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -57.04 -50.23 73.37 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.438 -178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.6 m -61.47 -46.58 89.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.262 -176.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.807 ' HB2' HD21 ' A' ' 33' ' ' LEU . 5.6 tp-100 -66.35 -42.98 87.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.808 0.337 . . . . 0.0 110.623 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.76 -45.72 91.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.663 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.53 ' CH2' ' HG3' ' A' ' 54' ' ' ARG . 78.3 t90 -67.24 -46.36 74.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.005 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.47 -42.74 88.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.388 . . . . 0.0 110.133 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.562 ' HA ' ' HB2' ' A' ' 55' ' ' LEU . 1.5 tptt -70.96 -29.16 65.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 178.209 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -36.89 82.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.054 177.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.53 ' HG3' ' CH2' ' A' ' 50' ' ' TRP . 1.2 mmt180 -80.03 -24.41 40.77 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.562 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -58.54 -44.66 89.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.782 174.342 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.22 -40.69 96.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.347 175.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.465 ' HG3' ' HA ' ' A' ' 54' ' ' ARG . 4.1 mm-40 . . . . . 0 C--N 1.333 -0.118 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.597 177.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 121.052 0.355 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -74.99 172.03 13.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.968 -178.597 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.29 -49.74 75.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 111.395 -176.509 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -66.26 -26.76 67.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.07 0.462 . . . . 0.0 110.594 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.587 ' NE2' ' HB1' ' A' ' 40' ' ' ALA . 47.9 tp60 -72.72 -40.08 66.42 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.506 177.582 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 10' ' ' THR . 62.3 t -65.99 -31.88 55.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.988 178.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -54.24 -35.25 62.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 176.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.4 mt -83.73 -46.58 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-O 121.11 0.481 . . . . 0.0 109.925 177.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -59.01 -45.92 89.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.939 -176.089 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.498 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 1.0 OUTLIER -58.32 -47.2 84.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.096 0.474 . . . . 0.0 110.256 179.339 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.587 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.7 t80 -60.14 -42.56 95.09 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.683 178.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.753 ' O ' HG12 ' A' ' 24' ' ' VAL . 92.0 m-20 -58.37 -60.3 4.0 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.692 176.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -57.42 -46.6 83.35 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.263 -171.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -80.65 -11.17 59.68 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.771 -174.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.587 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -95.72 -35.88 11.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.515 0.198 . . . . 0.0 111.439 -179.846 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.88 HG21 HG21 ' A' ' 32' ' ' THR . 1.6 p . . . . . 0 C--N 1.33 -0.262 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.288 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo . . . . . 0 C--O 1.234 0.287 0 CA-C-O 120.904 0.293 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -39.29 92.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.967 178.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.88 HG21 HG21 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -69.03 -47.31 65.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.418 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.3 mt -58.09 -46.05 86.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.295 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.93 -41.62 99.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.838 -176.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -38.07 47.93 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.62 0.248 . . . . 0.0 110.689 -177.033 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.603 HD12 HG22 ' A' ' 32' ' ' THR . 7.2 mt -71.01 -41.91 76.85 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.096 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.382 -178.21 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -59.95 -39.94 87.29 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 175.074 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.45 -49.11 74.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.624 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -61.99 -48.01 82.25 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.587 ' HB1' ' NE2' ' A' ' 13' ' ' GLN . . . -77.52 -22.58 50.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.8 -176.264 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.91 -15.97 57.76 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.885 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.441 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 4.5 mp -70.71 165.57 22.69 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 123.25 0.62 . . . . 0.0 112.365 178.145 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.45 162.96 16.18 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 170.332 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -56.45 -43.67 79.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.435 0.459 . . . . 0.0 112.004 -176.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -57.52 -41.32 80.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.16 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -72.11 -37.08 69.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.132 -177.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.456 HG21 HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -70.28 -43.33 70.67 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.668 -179.231 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -61.5 -42.61 99.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.604 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.17 -33.62 76.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.843 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.498 ' HH2' ' HA ' ' A' ' 18' ' ' GLU . 80.3 t90 -77.77 -46.81 20.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.751 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -59.26 -39.38 82.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.984 0.421 . . . . 0.0 110.118 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -66.57 -26.91 67.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.079 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -36.19 77.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.008 0.432 . . . . 0.0 109.9 177.508 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.448 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 3.2 mmp_? -77.22 -23.86 51.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.678 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -40.02 81.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.185 0.517 . . . . 0.0 109.729 175.343 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.92 -35.12 74.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.814 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.379 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo . . . . . 0 N--CA 1.461 -0.426 0 CA-C-O 120.855 0.273 . . . . 0.0 112.036 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.47 163.66 27.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.34 178.268 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -36.47 81.92 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.85 -40.52 88.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.353 175.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.46 ' HA ' HD12 ' A' ' 16' ' ' ILE . 4.6 tp-100 -72.49 -39.1 67.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.871 178.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 t -57.92 -34.94 49.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.358 176.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.33 -42.38 98.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.294 177.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 13' ' ' GLN . 26.8 mt -66.22 -47.08 85.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.397 0.618 . . . . 0.0 109.444 178.3 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.606 HD11 HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -58.48 -46.95 85.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.112 178.061 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.45 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 17.1 tp10 -58.18 -43.76 87.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -63.8 -48.83 75.27 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 177.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.42 ' O ' HG12 ' A' ' 24' ' ' VAL . 1.6 m120 -56.44 -59.76 4.51 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.804 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -54.15 -46.38 72.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.288 -174.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -64.61 -44.94 88.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.688 -176.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -92.93 -35.53 13.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.98 0.734 . . . . 0.0 112.98 -170.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.445 HG21 ' CG2' ' A' ' 32' ' ' THR . 5.4 p . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -169.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo . . . . . 0 N--CA 1.466 -0.145 0 N-CA-C 112.71 0.235 . . . . 0.0 112.71 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.37 -46.29 90.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.967 0.413 . . . . 0.0 110.494 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.445 ' CG2' HG21 ' A' ' 24' ' ' VAL . 55.0 m -61.89 -46.34 89.81 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.12 176.207 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.0 mt -55.44 -51.31 67.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.126 -172.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.409 ' HA ' ' CG ' ' A' ' 44' ' ' GLU . 12.3 m -62.68 -36.73 83.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.717 0.294 . . . . 0.0 111.567 -177.462 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 35' ' ' LEU . 14.7 mt -77.23 -50.36 13.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.567 -176.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 37' ' ' ALA . 4.3 pt -72.56 -27.91 26.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.589 -174.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.449 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -61.44 -44.86 96.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.979 0.419 . . . . 0.0 110.156 177.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.97 -39.75 94.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.564 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -64.51 -42.84 95.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.164 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.77 -22.43 50.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.37 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.38 30.74 15.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.793 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.6 tp -123.49 162.49 22.78 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -177.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.6 p -84.82 151.15 24.54 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.334 -0.546 . . . . 0.0 109.934 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.409 ' CG ' ' HA ' ' A' ' 34' ' ' CYS . 36.9 mp0 -55.4 -42.72 74.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.022 -178.241 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -61.4 -43.89 98.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.181 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -65.95 -45.47 81.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.979 0.418 . . . . 0.0 110.367 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.606 HG23 HD11 ' A' ' 17' ' ' LEU . 3.0 m -59.18 -43.79 92.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.425 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -41.34 99.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.638 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -43.64 98.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.982 0.42 . . . . 0.0 110.833 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.602 ' CZ3' ' HG3' ' A' ' 54' ' ' ARG . 69.5 t90 -67.06 -45.75 76.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.463 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -56.48 -40.82 75.55 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.178 0.513 . . . . 0.0 110.253 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -61.15 -42.26 98.24 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.819 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -32.99 71.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.702 0.287 . . . . 0.0 111.013 -176.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.602 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 0.3 OUTLIER -70.17 -38.23 75.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.739 0.304 . . . . 0.0 110.344 177.364 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 tp -59.67 -41.73 91.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.642 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.15 -45.77 83.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.596 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.867 179.794 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo . . . . . 0 N--CA 1.461 -0.39 0 CA-C-O 120.673 0.197 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.12 -172.56 2.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.859 178.577 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -56.45 -49.74 73.72 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.954 0.407 . . . . 0.0 111.506 -175.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 1.8 t70 -72.25 -32.69 66.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.886 0.374 . . . . 0.0 110.897 -177.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 -70.71 -39.54 73.35 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.343 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.7 t -62.65 -35.69 71.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.871 175.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.7 OUTLIER -58.73 -49.55 77.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.847 177.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.1 mt -64.81 -38.03 81.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 121.434 0.635 . . . . 0.0 110.153 178.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -65.49 -48.07 73.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.079 -179.411 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.552 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.4 OUTLIER -61.03 -38.69 87.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.714 179.692 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.474 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 16.4 t80 -58.12 -40.04 80.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.846 176.077 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -75.23 -48.21 24.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.305 -177.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.591 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 84.7 t80 -56.75 -40.18 75.34 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.736 0.303 . . . . 0.0 111.567 -176.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -82.42 -19.93 38.06 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -178.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 3.7 mmtt -94.09 -36.59 12.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.741 0.305 . . . . 0.0 111.397 -178.63 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.751 HG11 HG21 ' A' ' 32' ' ' THR . 77.2 t . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.075 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo . . . . . 0 C--O 1.231 0.148 0 N-CA-C 112.871 0.297 . . . . 0.0 112.871 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.67 -49.37 77.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.042 0.449 . . . . 0.0 111.37 -179.439 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.751 HG21 HG11 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -70.73 -33.82 71.25 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.244 -178.679 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.535 HD21 ' HG3' ' A' ' 48' ' ' GLN . 2.9 tp -54.75 -51.44 65.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.951 -175.115 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -36.57 83.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.953 0.406 . . . . 0.0 111.037 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 mt -73.95 -50.28 20.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.43 -176.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.556 HG23 HG22 ' A' ' 32' ' ' THR . 7.0 pt -68.22 -30.96 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -175.479 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.62 -46.85 77.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.931 0.396 . . . . 0.0 110.493 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.98 -36.59 78.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 178.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -69.24 -39.86 78.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.398 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.15 -13.64 52.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.772 0.32 . . . . 0.0 111.325 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.51 37.66 46.18 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.395 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -136.47 169.01 18.39 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -177.095 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.575 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 18.0 p -88.9 148.49 23.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.273 0.559 . . . . 0.0 112.309 -172.386 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -48.94 -49.12 41.83 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 114.913 -1.04 . . . . 0.0 113.647 -174.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.575 ' OE2' ' HB ' ' A' ' 43' ' ' THR . 0.1 OUTLIER -53.41 -49.13 67.92 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.426 0.454 . . . . 0.0 111.646 -173.83 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.694 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -67.12 -43.56 82.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.786 -178.179 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.535 HG23 HD11 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -58.48 -50.08 75.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.733 179.532 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.535 ' HG3' HD21 ' A' ' 33' ' ' LEU . 1.8 tt0 -62.17 -47.86 82.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.948 -177.171 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -63.12 -38.9 92.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.876 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.629 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 84.3 t90 -66.59 -53.57 32.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.07 -178.172 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.479 ' CZ ' HD12 ' A' ' 36' ' ' ILE . 16.3 m-85 -57.97 -37.47 74.24 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.909 0.385 . . . . 0.0 110.502 -177.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -67.42 -42.01 83.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.697 178.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -36.13 83.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.964 -178.138 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.629 ' HG2' ' O ' ' A' ' 50' ' ' TRP . 13.3 mmm180 -70.22 -36.59 74.65 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 110.462 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -37.43 87.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.245 178.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.69 85.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.356 175.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.968 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.458 -0.559 0 CA-C-O 121.132 0.388 . . . . 0.0 112.592 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.434 ' HB ' ' OD1' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -75.46 168.65 19.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.447 177.619 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.461 ' CD ' ' H ' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -59.5 -41.24 89.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.904 0.383 . . . . 0.0 111.146 -176.076 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.434 ' OD1' ' HB ' ' A' ' 10' ' ' THR . 12.8 p-10 -67.02 -35.34 79.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.698 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.595 ' HA ' HD12 ' A' ' 16' ' ' ILE . 8.2 tp-100 -73.49 -39.06 65.16 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.467 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.1 t -59.58 -32.56 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.61 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -47.86 83.84 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.831 0.348 . . . . 0.0 110.354 175.249 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 13' ' ' GLN . 12.1 mt -65.7 -39.98 86.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.064 178.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.584 HD11 HG23 ' A' ' 47' ' ' THR . 0.2 OUTLIER -64.85 -50.27 67.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.44 -179.129 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.575 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.8 OUTLIER -64.38 -43.46 94.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.623 -177.792 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.58 -49.43 74.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.072 177.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.582 ' O ' HG23 ' A' ' 24' ' ' VAL . 9.3 m-80 -66.24 -47.8 72.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.011 -177.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.473 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 25.5 t80 -55.06 -46.17 75.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.693 -178.392 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -72.8 -36.84 67.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 -178.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -71.75 -40.43 69.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.123 -175.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.675 HG11 HG21 ' A' ' 32' ' ' THR . 86.3 t . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.904 0.383 . . . . 0.0 111.072 -175.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo . . . . . 0 C--O 1.234 0.293 0 CA-C-O 120.991 0.33 . . . . 0.0 112.769 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -36.34 73.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.763 -177.299 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.675 HG21 HG11 ' A' ' 24' ' ' VAL . 21.4 m -76.34 -42.62 44.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.124 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.589 HD11 ' HA ' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -59.2 -43.12 92.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.391 -177.817 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 96.3 m -56.8 -36.68 70.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.419 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -78.24 -41.29 34.68 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.648 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.529 HD11 HG22 ' A' ' 32' ' ' THR . 69.6 mt -63.25 -43.99 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.777 -178.073 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.27 -35.19 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.046 0.45 . . . . 0.0 110.474 177.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.75 -45.51 51.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.602 177.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -62.94 -46.38 88.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.42 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.35 -23.45 46.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.42 53.18 7.75 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.201 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.619 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -150.42 165.27 33.65 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -178.881 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.491 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 1.4 p -72.47 149.41 44.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.227 0.537 . . . . 0.0 112.109 -172.325 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -57.72 -46.06 84.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.233 -176.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -48.71 75.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.611 -176.019 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.619 ' HB2' HD11 ' A' ' 42' ' ' LEU . 6.6 mm-40 -59.82 -48.8 80.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.933 0.397 . . . . 0.0 110.375 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.584 HG23 HD11 ' A' ' 17' ' ' LEU . 2.3 m -56.7 -46.34 81.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.251 179.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.589 ' HA ' HD11 ' A' ' 33' ' ' LEU . 1.3 tt0 -65.84 -50.72 63.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.372 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -61.64 -36.82 81.89 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.087 0.47 . . . . 0.0 110.723 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.575 ' HH2' ' HA ' ' A' ' 18' ' ' GLU . 68.6 t90 -68.44 -51.04 48.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.809 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.509 ' CZ ' HD13 ' A' ' 36' ' ' ILE . 5.2 m-85 -57.46 -39.73 76.96 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.397 0.618 . . . . 0.0 110.026 179.01 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -65.65 -34.89 79.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.546 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.473 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -75.0 -30.87 61.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.602 0.239 . . . . 0.0 111.126 -175.852 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.45 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 1.5 mmp_? -72.46 -19.28 61.59 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.202 -177.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.32 -50.18 72.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.122 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.14 -35.91 76.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.756 0.312 . . . . 0.0 110.778 177.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 53' ' ' GLN . 34.1 mm-40 . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.273 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo . . . . . 0 N--CA 1.461 -0.418 0 CA-C-O 120.723 0.218 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.9 165.88 24.09 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.495 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -57.08 -42.43 80.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.717 0.294 . . . . 0.0 111.204 -177.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.31 -43.81 96.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.644 178.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.556 ' HA ' HD12 ' A' ' 16' ' ' ILE . 57.4 mm-40 -69.93 -36.99 75.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.015 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.9 t -62.02 -38.05 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.422 176.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.18 -46.23 88.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 177.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' A' ' 13' ' ' GLN . 21.5 mt -62.59 -36.76 76.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 121.521 0.676 . . . . 0.0 109.687 176.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.681 HD11 HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -68.25 -49.31 61.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.312 -179.146 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.582 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -59.78 -42.67 93.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -178.774 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -62.72 -43.78 97.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.218 176.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -66.2 -52.51 47.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.332 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -54.45 -40.24 68.19 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.87 0.367 . . . . 0.0 110.645 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -71.25 -29.11 64.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.535 -177.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.08 -11.11 20.81 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -175.305 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.326 -0.427 0 CA-C-O 120.681 0.277 . . . . 0.0 110.346 178.23 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 N--CA 1.474 0.335 0 N-CA-C 113.292 0.458 . . . . 0.0 113.292 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -47.55 84.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.793 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.948 ' HA ' HD23 ' A' ' 35' ' ' LEU . 17.1 m -61.74 -46.41 89.74 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.5 176.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.662 HD21 ' HB2' ' A' ' 48' ' ' GLN . 4.0 tp -55.87 -44.32 78.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.258 -178.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.8 m -68.42 -37.66 80.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.238 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.948 HD23 ' HA ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -77.25 -46.21 23.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.75 0.309 . . . . 0.0 111.795 -176.235 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.616 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 4.6 pt -71.53 -25.44 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 O-C-N 122.26 -0.275 . . . . 0.0 111.244 -175.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.73 -43.79 94.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.103 176.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.9 -35.6 78.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.715 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -68.61 -41.09 80.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.038 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.98 -22.68 42.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.476 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.53 36.8 6.37 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.44 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.5 mt -134.67 174.78 10.19 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.49 173.13 7.1 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 176.489 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -61.27 -49.27 77.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.799 -175.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -57.04 -49.24 76.44 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.217 0.323 . . . . 0.0 111.474 -176.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -62.8 -45.99 90.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 111.051 -176.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.681 HG23 HD11 ' A' ' 17' ' ' LEU . 3.3 m -66.01 -41.6 90.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.98 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.662 ' HB2' HD21 ' A' ' 33' ' ' LEU . 48.7 tt0 -63.3 -45.63 90.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.376 -178.079 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -38.4 89.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -178.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.582 ' HH2' ' HA ' ' A' ' 18' ' ' GLU . 78.9 t90 -68.64 -47.91 65.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.586 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -60.43 -34.78 74.47 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.89 0.376 . . . . 0.0 110.421 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.481 ' HE2' ' HG2' ' A' ' 48' ' ' GLN . 7.2 mttm -59.66 -41.82 91.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.041 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -33.97 77.28 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.93 -178.181 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.502 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 2.4 mmt180 -73.52 -25.42 60.41 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.995 -177.168 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -56.89 -41.85 78.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.135 0.493 . . . . 0.0 110.487 179.399 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.94 -43.49 58.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.882 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.236 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 tpp . . . . . 0 C--O 1.235 0.302 0 N-CA-C 110.595 -0.15 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m 58.65 41.51 21.96 Favored 'General case' 0 C--N 1.332 -0.169 0 O-C-N 123.629 0.581 . . . . 0.0 110.85 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.23 59.57 4.95 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.403 -177.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.87 176.48 10.11 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.371 -178.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.597 HG22 ' HA ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -84.59 67.34 9.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.025 0.441 . . . . 0.0 110.929 -178.829 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -81.26 128.31 38.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.741 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 m 74.23 -47.84 0.65 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.641 0.777 . . . . 0.0 112.403 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -151.49 177.25 29.53 Favored Glycine 0 C--N 1.316 -0.577 0 C-N-CA 121.203 -0.522 . . . . 0.0 112.008 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.597 ' HA ' HG22 ' A' ' 5' ' ' THR . 57.0 Cg_endo -70.21 151.23 66.4 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.69 2.26 . . . . 0.0 112.552 -177.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.06 172.41 13.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.825 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -56.21 -43.3 78.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.375 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -56.95 -34.21 67.8 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.062 0.458 . . . . 0.0 110.888 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -73.38 -36.15 66.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.83 -177.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.3 t -61.25 -31.77 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.473 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -65.9 -44.73 84.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.562 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 11.8 mt -73.49 -33.91 41.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.074 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.543 HD11 HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -68.95 -44.39 73.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.486 -179.591 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -40.34 94.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.805 0.336 . . . . 0.0 110.979 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.426 ' CE2' ' HE2' ' A' ' 23' ' ' LYS . 88.3 t80 -62.58 -44.85 95.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.676 176.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.585 ' O ' HG22 ' A' ' 24' ' ' VAL . 4.7 m-80 -61.94 -47.26 85.69 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.637 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 54' ' ' ARG . 57.3 t80 -54.35 -42.41 70.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.071 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -82.33 -7.39 59.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.524 -176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' HE2' ' CE2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -115.44 -28.14 6.95 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -174.272 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.808 HG23 ' H ' ' A' ' 25' ' ' ASN . 4.4 m -68.0 -75.72 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.491 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.808 ' H ' HG23 ' A' ' 24' ' ' VAL . 6.5 p30 -177.82 15.24 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 122.643 0.377 . . . . 0.0 110.348 -178.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.38 18.98 9.81 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.507 178.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -141.7 142.91 27.2 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 122.327 -0.233 . . . . 0.0 110.694 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -62.94 118.51 5.41 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.401 2.067 . . . . 0.0 111.854 174.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.617 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 0.5 OUTLIER -119.65 150.98 51.27 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.997 -175.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -77.77 -59.9 0.04 OUTLIER 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.329 2.686 . . . . 0.0 112.415 -174.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -43.46 95.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.541 0.686 . . . . 0.0 110.51 178.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.617 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 13.4 m -62.77 -46.26 88.84 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.78 -178.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.598 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 1.1 tp -55.39 -54.08 48.16 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -174.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.9 m -58.59 -44.93 90.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.493 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.68 -47.57 62.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.716 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 32' ' ' THR . 27.7 pt -72.63 -31.13 36.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.236 -176.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.42 96.74 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 120.802 0.334 . . . . 0.0 110.702 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.4 95.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.73 -28.64 60.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.85 -22.58 49.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.805 0.336 . . . . 0.0 110.863 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.98 30.94 7.97 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.995 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 69.3 mt -136.47 -167.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.403 ' H ' ' HG3' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -123.02 173.81 7.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.159 174.03 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.75 -47.1 80.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 0.0 110.869 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.3 -49.33 44.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.944 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.403 ' HG3' ' H ' ' A' ' 43' ' ' THR . 1.7 mt-30 -72.3 -38.2 68.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.0 -177.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.543 HG23 HD11 ' A' ' 17' ' ' LEU . 5.6 m -67.86 -41.52 82.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.885 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.452 ' HB2' HD21 ' A' ' 33' ' ' LEU . 28.9 tp60 -62.48 -46.63 87.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.312 178.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.36 -34.46 73.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.539 -178.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.493 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 72.0 t90 -82.34 -49.42 10.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.981 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.406 ' HD1' ' HA ' ' A' ' 51' ' ' PHE . 0.6 OUTLIER -56.35 -40.24 74.17 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.738 0.304 . . . . 0.0 111.072 -177.485 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -66.18 -31.96 73.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.273 -0.421 . . . . 0.0 112.002 -176.824 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.454 HE21 ' HB2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -73.18 -31.35 64.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.374 -178.193 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.426 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -76.99 -25.46 52.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.188 178.234 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.482 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -55.27 -44.5 75.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.753 177.9 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' A' ' 60' ' ' ARG . . . -63.48 -46.49 85.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.997 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -65.39 -39.36 92.14 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.677 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -57.48 -45.57 84.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.35 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -65.04 -34.75 79.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.377 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 29.0 mtm180 -70.39 -51.32 30.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.055 0.455 . . . . 0.0 111.213 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.61 -52.11 42.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.119 -175.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.556 ' HB2' HD11 ' A' ' 64' ' ' LEU . 2.1 mt-10 -81.01 -17.06 51.59 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.144 -0.222 . . . . 0.0 111.504 -174.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.87 77.99 0.27 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.669 177.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.556 HD11 ' HB2' ' A' ' 62' ' ' GLU . 2.2 mp -118.92 122.69 29.51 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 122.696 -0.297 . . . . 0.0 110.809 -178.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -74.02 82.5 1.77 Allowed 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.736 2.291 . . . . 0.0 111.471 175.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 66.56 -132.44 0.17 Allowed 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.859 -177.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -101.17 -63.03 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.364 0.602 . . . . 0.0 110.867 -177.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 170.37 16.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.54 -176.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.17 99.26 5.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.857 176.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.9 m -136.08 131.07 34.37 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.141 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.1 m -82.5 107.95 14.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.63 105.81 11.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.171 176.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.645 -0.693 . . . . 0.0 110.376 -177.647 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.445 0 CA-C-O 121.092 0.472 . . . . 0.0 111.584 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -51.44 19.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.805 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -166.59 162.57 16.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.462 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -103.74 105.2 15.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.933 175.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.57 35.74 0.89 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.45 0.643 . . . . 0.0 110.693 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 t -115.69 112.67 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.005 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.23 -17.91 41.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.158 0.504 . . . . 0.0 110.583 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.12 -157.54 32.08 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.241 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.97 117.58 4.77 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.319 2.013 . . . . 0.0 111.287 176.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.23 162.55 29.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.245 -177.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.58 -44.13 56.71 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -174.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -71.29 -33.75 70.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.819 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.536 ' HA ' HD12 ' A' ' 16' ' ' ILE . 28.9 mm100 -73.12 -35.26 66.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.254 177.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.95 -30.95 49.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.324 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -47.63 77.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.152 0.501 . . . . 0.0 110.164 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 13' ' ' GLN . 14.1 mt -63.01 -33.74 62.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.099 176.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.608 HD11 HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -71.68 -49.6 38.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.717 -178.324 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.525 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -58.04 -41.47 83.3 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.873 -178.19 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.455 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 7.7 t80 -65.25 -49.22 70.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.167 177.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.699 ' O ' HG12 ' A' ' 24' ' ' VAL . 3.3 m-80 -62.43 -56.46 17.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.165 -176.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.464 ' CB ' ' HZ3' ' A' ' 50' ' ' TRP . 44.9 t80 -55.01 -33.15 62.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.826 -174.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -76.92 -17.49 58.89 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.703 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 19' ' ' TYR . 2.6 mmmt -117.34 -44.71 2.76 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -171.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 20' ' ' ASN . 6.5 p -72.42 -60.21 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -170.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.464 ' N ' HG13 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -155.29 137.0 14.33 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.222 -0.299 . . . . 0.0 110.813 -174.265 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -92.08 4.87 52.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.336 0.588 . . . . 0.0 110.481 177.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -140.51 117.39 7.91 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.61 174.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.465 ' HG2' ' HD2' ' A' ' 52' ' ' LYS . 32.1 Cg_exo -58.96 121.17 9.51 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.948 2.432 . . . . 0.0 112.548 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.62 145.05 41.97 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 175.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -53.69 -41.13 76.54 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.293 2.662 . . . . 0.0 112.665 -176.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -50.88 63.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.061 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.515 ' O ' HG12 ' A' ' 36' ' ' ILE . 53.6 m -62.44 -45.71 91.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.465 ' CD1' ' HB ' ' A' ' 47' ' ' THR . 0.8 OUTLIER -57.53 -42.01 82.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.923 -174.007 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 68.2 m -66.82 -41.4 87.58 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.477 HD12 HG23 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -76.37 -42.62 44.05 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.167 -0.613 . . . . 0.0 111.249 -177.805 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 32' ' ' THR . 6.3 pt -67.04 -33.19 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.369 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.429 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -62.71 -45.89 90.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.139 0.495 . . . . 0.0 109.89 176.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.86 -38.78 92.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.926 177.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 35' ' ' LEU . 11.1 mm-40 -59.89 -40.32 88.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.834 177.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.65 -19.69 48.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.324 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.07 25.22 49.73 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.103 -0.57 . . . . 0.0 111.921 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.728 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -127.02 166.8 16.89 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.172 -0.306 . . . . 0.0 110.172 -175.461 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -79.59 156.45 27.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.009 0.433 . . . . 0.0 111.919 -174.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -63.35 -45.77 89.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.694 -170.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -59.69 -44.06 93.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.614 -173.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.728 ' HB2' HD11 ' A' ' 42' ' ' LEU . 2.1 mt-30 -65.76 -34.96 79.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.852 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.608 HG23 HD11 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -65.35 -49.11 70.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.757 0.313 . . . . 0.0 110.784 178.81 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -65.46 -42.23 92.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.04 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -59.87 -42.08 92.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.499 177.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.687 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . 63.7 t90 -69.63 -44.84 69.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -57.88 -31.98 67.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.113 0.483 . . . . 0.0 109.885 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.465 ' HD2' ' HG2' ' A' ' 28' ' ' PRO . 1.5 mptm? -76.92 -42.24 40.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.228 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.687 ' HG2' ' HA ' ' A' ' 50' ' ' TRP . 0.6 OUTLIER -65.48 -33.46 75.98 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.006 0.431 . . . . 0.0 110.304 -178.734 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.479 ' HG3' ' CH2' ' A' ' 50' ' ' TRP . 7.3 mmt180 -79.81 -25.99 40.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.69 178.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.426 ' HA ' HD12 ' A' ' 55' ' ' LEU . 12.1 tp -62.3 -40.95 97.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.189 0.519 . . . . 0.0 109.78 174.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.21 -39.97 82.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.488 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -66.69 -39.66 88.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.997 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.453 ' CD1' ' HB2' ' A' ' 62' ' ' GLU . 2.1 t90 -55.9 -39.79 72.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.695 -179.154 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.6 mtm105 -65.98 -21.04 66.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.37 -177.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.2 mtm105 -83.08 -58.66 2.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.995 0.426 . . . . 0.0 110.658 178.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -39.41 72.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.991 -175.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.453 ' HB2' ' CD1' ' A' ' 58' ' ' TRP . 1.6 mm-40 -108.07 31.39 5.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.26 -178.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -38.42 134.77 1.26 Allowed Glycine 0 C--N 1.335 0.491 0 CA-C-N 115.137 -0.938 . . . . 0.0 113.888 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 4.0 mm? -83.71 127.1 69.05 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 115.43 -0.385 . . . . 0.0 110.402 -173.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 64' ' ' LEU . 19.2 Cg_exo -65.74 -47.45 3.91 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.296 1.998 . . . . 0.0 111.254 177.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.439 ' CB ' ' HB3' ' A' ' 69' ' ' ARG . 1.6 m -172.57 136.1 0.73 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.635 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -79.68 -43.43 22.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.704 0.288 . . . . 0.0 111.092 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.1 m -107.52 -26.7 10.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.036 0.446 . . . . 0.0 110.927 -177.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.543 ' HA ' ' HD2' ' A' ' 69' ' ' ARG . 1.5 tpt180 -84.58 166.84 16.82 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.206 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.65 160.31 32.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.78 0.324 . . . . 0.0 111.462 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.7 p -57.59 123.87 10.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.274 0.559 . . . . 0.0 110.423 177.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.83 147.97 35.85 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -175.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.246 0.91 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ttm . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.192 0.52 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.26 78.65 5.76 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.012 176.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.14 -166.25 2.46 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.871 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.519 ' HB3' HG22 ' A' ' 6' ' ' VAL . 2.0 tp60 -144.57 173.01 12.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.564 -178.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.431 HG21 ' HE2' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -77.22 27.6 0.15 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.899 0.381 . . . . 0.0 111.841 179.495 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.519 HG22 ' HB3' ' A' ' 4' ' ' GLN . 2.7 m -85.32 -34.29 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.289 0.566 . . . . 0.0 109.794 176.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.45 70.97 10.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.361 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.436 ' HA3' ' HD3' ' A' ' 9' ' ' PRO . . . -111.55 -129.12 5.35 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.02 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.436 ' HD3' ' HA3' ' A' ' 8' ' ' GLY . 5.6 Cg_exo -79.44 125.39 6.27 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 123.034 2.489 . . . . 0.0 111.966 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.62 170.12 17.01 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.489 178.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' CD ' ' H ' ' A' ' 11' ' ' GLU . 1.8 mp0 -53.02 -46.6 68.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -175.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -71.66 -29.31 64.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.964 0.411 . . . . 0.0 110.489 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -73.2 -38.91 65.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.701 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.35 -28.57 45.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.226 0.536 . . . . 0.0 109.758 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -61.35 -49.16 78.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.04 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.2 mt -69.35 -33.89 59.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.35 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.642 HD11 HG23 ' A' ' 47' ' ' THR . 0.1 OUTLIER -68.93 -49.68 55.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.591 -177.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.537 ' HG2' ' HZ2' ' A' ' 50' ' ' TRP . 8.5 mm-40 -61.1 -41.3 96.41 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.827 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.482 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -61.99 -39.39 92.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.175 177.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.612 ' O ' HG12 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -70.07 -55.61 9.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.698 -177.034 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.474 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 21.7 t80 -56.6 -33.51 66.31 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.035 0.445 . . . . 0.0 110.685 -177.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -79.87 -12.03 59.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -105.01 -55.04 2.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.665 -175.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.612 HG12 ' O ' ' A' ' 20' ' ' ASN . 1.9 p -74.28 -67.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -175.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.549 ' H ' HG13 ' A' ' 24' ' ' VAL . 54.1 t30 -175.66 159.92 2.39 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -168.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.63 ' O ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -93.15 28.19 2.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.049 0.452 . . . . 0.0 110.512 179.392 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.507 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 2.2 m80 -139.83 132.15 14.92 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 27' ' ' HIS . 7.9 Cg_exo -73.31 70.47 3.9 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.863 2.375 . . . . 0.0 111.567 177.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 7.3 m-20 -63.16 145.11 97.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.33 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 29' ' ' ASP . 35.6 Cg_exo -57.39 -39.24 90.91 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 123.123 2.548 . . . . 0.0 111.968 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.59 -41.09 89.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.03 179.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.443 ' O ' HG12 ' A' ' 36' ' ' ILE . 5.8 m -72.99 -45.5 57.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.872 -177.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.426 ' HA ' HD23 ' A' ' 33' ' ' LEU . 13.8 mt -55.13 -62.07 1.9 Allowed 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -170.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.1 m -69.57 -26.88 64.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -174.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.3 mt -77.3 -48.67 16.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.771 0.32 . . . . 0.0 111.273 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.443 HG12 ' O ' ' A' ' 32' ' ' THR . 3.2 pt -74.36 -25.07 19.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.037 -178.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.417 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -61.93 -36.5 81.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.418 176.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.13 -40.71 86.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.605 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.75 -33.4 73.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.06 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.84 -22.64 24.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.726 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.8 35.95 14.86 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.93 -177.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 42' ' ' LEU . 10.1 mt -123.33 -179.42 4.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 -177.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.403 ' OG1' ' HG3' ' A' ' 46' ' ' GLN . 21.0 p -110.35 164.8 12.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.245 177.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.74 -48.75 78.72 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -176.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.42 -49.24 76.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.603 -175.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.403 ' HG3' ' OG1' ' A' ' 43' ' ' THR . 7.1 mt-30 -62.22 -45.55 92.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -177.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.642 HG23 HD11 ' A' ' 17' ' ' LEU . 2.6 m -67.87 -40.16 83.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.437 -177.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' OE1' ' HE2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -64.53 -46.18 83.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.148 -177.853 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.431 ' HE2' HG21 ' A' ' 5' ' ' THR . 7.2 tttt -62.89 -41.11 99.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.402 . . . . 0.0 110.717 -179.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.537 ' HZ2' ' HG2' ' A' ' 18' ' ' GLU . 80.2 t90 -65.55 -49.93 67.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.067 -178.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.474 ' CD2' ' HD2' ' A' ' 21' ' ' PHE . 5.2 m-85 -57.56 -43.22 84.33 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.952 0.406 . . . . 0.0 110.287 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.4 ' HE2' ' OE1' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -63.19 -35.14 79.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.246 179.603 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -30.71 69.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.832 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.423 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 1.7 mmp_? -78.76 -26.78 44.57 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.944 0.402 . . . . 0.0 110.012 176.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.63 HD13 ' O ' ' A' ' 26' ' ' LYS . 49.3 tp -62.25 -31.11 71.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.328 177.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.83 -33.75 72.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.437 175.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -78.37 -25.42 46.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.99 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.45 ' HE3' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -55.27 -35.79 65.41 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.491 -179.735 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -62.7 -22.25 66.36 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.647 -176.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -82.62 -42.93 17.6 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.044 0.45 . . . . 0.0 110.638 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.43 -66.18 0.93 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.354 -176.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.42 30.45 7.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -169.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -138.09 -81.19 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 119.409 -1.377 . . . . 0.0 114.232 -174.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -107.98 162.02 21.28 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 122.288 0.235 . . . . 0.0 110.933 -169.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.693 ' HB3' ' HB3' ' A' ' 69' ' ' ARG . 21.0 Cg_exo -67.07 85.75 0.32 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.921 2.414 . . . . 0.0 113.169 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.4 m -100.6 8.69 43.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.59 0.709 . . . . 0.0 109.244 171.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -145.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.301 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.68 39.68 0.69 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.548 -178.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.693 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . 6.3 ttm180 -119.46 171.96 7.97 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.11 105.69 0.51 Allowed 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 173.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.6 m -55.71 124.92 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.671 -173.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 m -108.6 139.43 43.38 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.4 176.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.3 t70 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.293 -0.861 . . . . 0.0 109.915 -178.562 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtp . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.837 0.351 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.68 165.43 11.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.203 177.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 47.9 60.61 3.44 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.693 0.621 . . . . 0.0 111.379 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -108.23 -168.48 1.37 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.838 -176.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.8 79.36 1.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.013 0.435 . . . . 0.0 111.415 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.16 -36.73 78.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.4 17.56 23.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.039 0.447 . . . . 0.0 110.813 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -134.15 -153.24 6.91 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -69.92 121.77 8.42 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.694 2.263 . . . . 0.0 112.017 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -79.99 174.58 11.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.824 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -45.7 80.7 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.808 0.337 . . . . 0.0 111.509 -176.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -63.63 -36.42 83.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.006 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -72.02 -40.78 68.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.202 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.3 t -60.27 -37.36 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.144 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.29 -51.16 70.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.603 176.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.7 mt -65.26 -40.08 87.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.936 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.1 mt -69.39 -47.86 62.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.55 -177.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.444 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 2.1 mm-40 -56.91 -47.59 80.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 111.083 -177.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.595 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 7.3 t80 -55.62 -41.74 73.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.579 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -73.92 -46.85 41.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.263 -177.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.68 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 41.6 t80 -58.17 -40.32 81.14 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.069 0.461 . . . . 0.0 111.564 -178.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -85.05 -9.04 58.4 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.356 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.595 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -110.24 8.61 23.66 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -177.674 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.666 HG23 ' H ' ' A' ' 25' ' ' ASN . 1.6 m -99.75 -98.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.666 ' H ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -150.58 26.22 0.76 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 176.459 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 3.8 mmtp 68.25 -56.88 0.49 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.153 -169.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -75.4 119.11 75.5 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 172.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.513 ' HG3' ' HB3' ' A' ' 51' ' ' PHE . 44.1 Cg_endo -68.12 139.98 48.12 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.634 2.223 . . . . 0.0 112.767 -176.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -84.91 162.5 49.59 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.534 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.8 -29.82 83.54 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 122.041 1.827 . . . . 0.0 111.031 171.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -41.74 84.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.837 178.221 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.452 HG21 HG11 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -61.43 -48.75 79.74 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.971 -178.139 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.4 mt -57.86 -37.8 74.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.0 m -75.59 -52.2 11.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.82 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.662 ' HG ' ' N ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -78.1 -49.43 13.94 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -170.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.662 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -77.24 -25.38 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 120.65 -0.42 . . . . 0.0 112.073 -171.448 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.441 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -63.56 -40.73 97.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.019 0.438 . . . . 0.0 109.928 177.143 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.17 -28.67 65.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.795 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.67 -36.75 60.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.921 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.31 -10.91 47.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.405 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.25 27.42 66.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.973 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 42' ' ' LEU . 11.1 mt -105.88 146.7 29.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.7 0.286 . . . . 0.0 110.325 -176.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.32 169.96 15.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.979 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.28 -44.17 68.07 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.21 -174.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.52 ' H ' ' HG3' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -64.41 -43.77 93.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.431 -177.542 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -60.6 -50.91 71.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.503 -175.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.82 -47.26 81.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.305 -176.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -63.21 -48.94 76.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.949 0.404 . . . . 0.0 111.064 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 6.2 tptp -59.88 -47.29 86.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.288 -176.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.68 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 89.2 t90 -66.85 -51.85 50.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.322 -177.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.513 ' HB3' ' HG3' ' A' ' 28' ' ' PRO . 10.8 m-85 -56.06 -44.92 79.36 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.02 0.438 . . . . 0.0 110.481 -177.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' HA ' HD12 ' A' ' 55' ' ' LEU . 1.7 ttpp -68.75 -32.71 72.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.249 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.47 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -69.47 -37.23 77.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.465 -179.297 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 50' ' ' TRP . 14.0 mmm180 -72.94 -28.9 62.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.616 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 52' ' ' LYS . 11.3 mt -62.34 -36.07 81.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.358 0.599 . . . . 0.0 110.003 176.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.65 -44.49 50.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.072 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.437 ' OE1' ' HD2' ' A' ' 54' ' ' ARG . 86.8 mt-10 -69.02 -37.92 78.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.72 -177.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.36 -36.16 66.02 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.321 -175.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -59.96 -33.67 72.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.99 0.424 . . . . 0.0 111.067 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -82.15 -34.03 29.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.657 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.45 -61.47 1.9 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.925 -178.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.477 ' O ' HG23 ' A' ' 72' ' ' THR . 5.4 mt-10 -72.92 -37.33 67.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.171 -173.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.81 95.11 0.05 OUTLIER Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.069 -177.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.473 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 3.7 mp -72.94 128.96 87.19 Favored Pre-proline 0 C--N 1.328 -0.358 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 64' ' ' LEU . 9.4 Cg_exo -72.81 26.54 0.29 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.368 2.712 . . . . 0.0 113.67 -174.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.96 2.04 3.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.942 0.401 . . . . 0.0 110.673 177.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.3 80.64 1.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.3 m 58.81 -153.5 0.38 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.728 -173.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.528 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -81.12 89.39 5.98 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.981 -0.687 . . . . 0.0 109.817 176.057 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.444 ' O ' ' HA ' ' A' ' 65' ' ' PRO . 3.4 m -142.69 94.69 2.67 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.4 t -101.88 135.55 38.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.915 0.388 . . . . 0.0 110.751 -174.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -74.85 74.76 2.13 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.154 0.502 . . . . 0.0 109.732 172.305 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 t70 . . . . . 0 C--O 1.244 0.78 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.399 -176.192 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.89 0.376 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.71 30.75 1.13 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.43 -177.131 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.5 -70.96 0.68 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.931 0.396 . . . . 0.0 110.399 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -98.93 88.68 4.06 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.38 41.45 3.39 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.999 0.428 . . . . 0.0 110.831 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 t -101.13 97.44 5.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 m 70.65 -17.07 0.3 Allowed 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.51 -94.54 0.86 Allowed Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -74.66 108.4 2.69 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.498 2.132 . . . . 0.0 111.338 172.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -178.36 2.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.393 -178.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -41.38 83.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.78 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -34.66 77.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.479 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -72.3 -43.17 64.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.804 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.5 t -60.99 -27.93 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.166 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -63.25 -46.5 86.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.145 0.497 . . . . 0.0 110.158 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.0 mt -70.36 -45.82 73.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.05 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.729 HD11 HG23 ' A' ' 47' ' ' THR . 0.2 OUTLIER -60.95 -49.36 77.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.036 -176.331 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.427 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 3.0 tp10 -61.06 -40.28 93.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.594 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -64.07 -49.06 73.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.011 176.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.65 ' O ' HG12 ' A' ' 24' ' ' VAL . 44.1 m-20 -54.58 -60.84 2.81 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.317 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.48 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 18.7 t80 -56.48 -44.05 80.22 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.334 0.396 . . . . 0.0 111.467 -174.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -73.98 -20.3 60.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.848 -174.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.2 29.67 6.03 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -173.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.839 HG13 ' H ' ' A' ' 25' ' ' ASN . 2.3 p -116.53 -80.92 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 171.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.839 ' H ' HG13 ' A' ' 24' ' ' VAL . 5.3 p30 -161.55 20.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.573 ' HD3' ' CD1' ' A' ' 58' ' ' TRP . 41.7 mttt 67.77 -67.1 0.19 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.35 -177.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -106.09 97.14 14.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.748 0.309 . . . . 0.0 110.275 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.502 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 94.9 Cg_endo -86.8 -168.88 0.46 Allowed 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 122.683 2.256 . . . . 0.0 112.655 -177.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.535 ' HB2' ' HD2' ' A' ' 30' ' ' PRO . 14.2 p30 -118.53 171.13 5.52 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.387 178.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.535 ' HD2' ' HB2' ' A' ' 29' ' ' ASP . 72.6 Cg_exo -52.29 -39.06 73.37 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.615 2.21 . . . . 0.0 112.742 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -49.18 78.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.769 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.502 ' HB ' ' HB2' ' A' ' 28' ' ' PRO . 27.5 m -62.27 -44.02 97.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.229 178.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.428 HD23 HD11 ' A' ' 36' ' ' ILE . 6.2 mt -62.94 -36.67 84.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.066 -174.421 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.1 m -68.0 -44.11 77.33 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.458 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -71.85 -37.18 70.29 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.367 -176.762 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 32' ' ' THR . 33.1 pt -71.06 -37.17 66.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.794 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.94 94.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.999 0.428 . . . . 0.0 110.261 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.24 84.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.904 177.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.421 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 2.1 mm-40 -71.56 -40.35 70.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.09 -22.36 60.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.098 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.25 32.08 40.12 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.696 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.547 ' HG ' ' N ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -131.37 156.92 44.71 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -177.451 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.547 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 4.1 p -72.47 144.17 48.16 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.36 -174.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -51.3 -43.53 61.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.47 -175.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -54.77 -45.81 74.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.469 -177.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -66.8 -41.66 87.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.476 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.729 HG23 HD11 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -61.06 -48.29 82.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.09 0.471 . . . . 0.0 110.647 177.422 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -63.34 -44.37 95.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.858 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -44.76 95.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.733 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.48 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 74.1 t90 -64.21 -47.12 80.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.79 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -59.96 -38.28 82.04 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.028 0.442 . . . . 0.0 110.154 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -30.4 70.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.498 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.414 ' HG2' ' HE ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -68.28 -37.28 80.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.712 0.291 . . . . 0.0 110.452 -179.702 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.414 ' HE ' ' HG2' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -76.82 -18.73 58.22 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.528 -178.162 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.462 ' HA ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -58.99 -33.93 71.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.332 -179.509 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.34 -37.05 63.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.121 0.486 . . . . 0.0 110.691 178.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -72.52 -39.57 67.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.96 -177.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.573 ' CD1' ' HD3' ' A' ' 26' ' ' LYS . 1.1 t90 -56.76 -38.34 72.31 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.156 0.503 . . . . 0.0 110.737 178.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.5 mtm105 -67.61 -19.96 65.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.389 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.4 mmt-85 -76.18 -48.4 20.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.042 0.449 . . . . 0.0 110.487 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -65.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.885 -176.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -109.66 -35.52 6.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.842 0.354 . . . . 0.0 111.211 -177.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.68 -129.06 8.9 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 120.361 -0.924 . . . . 0.0 111.557 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.448 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 2.7 mm? -120.37 125.5 27.19 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -179.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.767 ' HG2' HG13 ' A' ' 71' ' ' VAL . 13.6 Cg_exo -70.91 48.3 0.82 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.226 2.617 . . . . 0.0 112.852 178.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.0 p -169.73 -82.99 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.693 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.447 ' HB3' ' H ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -171.33 -93.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.677 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.447 ' H ' ' HB3' ' A' ' 67' ' ' GLU . 1.8 m -109.01 34.03 3.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.433 0.635 . . . . 0.0 109.668 174.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -118.73 176.19 5.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.365 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -174.16 2.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.053 178.014 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.767 HG13 ' HG2' ' A' ' 65' ' ' PRO . 38.4 t -69.94 104.58 1.13 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.273 0.558 . . . . 0.0 109.999 177.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.16 148.02 50.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.031 -178.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.4 t0 . . . . . 0 C--O 1.252 1.207 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.764 179.744 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m 59.4 -88.64 0.02 OUTLIER 'General case' 0 C--O 1.233 0.213 0 O-C-N 123.799 0.687 . . . . 0.0 111.734 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 54.44 -128.24 2.27 Favored 'General case' 0 C--O 1.232 0.148 0 O-C-N 123.336 0.398 . . . . 0.0 109.938 -174.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.01 89.11 2.01 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 175.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.56 64.24 8.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.973 0.416 . . . . 0.0 110.9 -178.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 m -95.78 -9.82 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.382 0.611 . . . . 0.0 109.805 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.38 107.38 15.0 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.291 178.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.05 -149.48 18.2 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.255 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -67.55 148.46 78.57 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.881 2.387 . . . . 0.0 112.116 -178.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.26 169.49 18.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.743 177.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.68 -44.24 77.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 110.95 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -35.04 79.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.856 179.035 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -72.9 -41.45 64.62 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.269 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.27 -34.42 66.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.399 177.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -58.08 -52.04 67.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.399 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.5 mt -63.07 -38.34 81.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.056 0.455 . . . . 0.0 110.254 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -62.72 -49.99 72.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.244 -178.505 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.477 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 2.0 tt0 -68.37 -37.55 80.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.816 -177.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -64.06 -42.53 96.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.682 177.043 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -68.14 -44.9 75.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.682 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.44 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 34.4 t80 -55.05 -44.27 74.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.476 178.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -73.15 -34.32 66.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.226 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -79.18 -40.29 31.22 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -175.332 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' A' ' 25' ' ' ASN . 54.9 t -66.02 -76.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -176.218 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.489 ' HB2' HG12 ' A' ' 24' ' ' VAL . 1.6 m-80 -164.88 4.45 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.649 0.261 . . . . 0.0 110.849 -174.267 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.5 mtmm 61.68 20.14 11.08 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.414 0.626 . . . . 0.0 110.254 -170.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -141.1 138.83 18.29 Favored Pre-proline 0 N--CA 1.453 -0.301 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.734 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.472 ' HB3' ' CB ' ' A' ' 51' ' ' PHE . 92.5 Cg_endo -86.35 82.19 1.41 Allowed 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.643 2.229 . . . . 0.0 112.726 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.59 137.47 96.42 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 175.013 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.99 -43.5 56.14 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.798 2.332 . . . . 0.0 112.318 -177.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -43.64 89.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.094 0.474 . . . . 0.0 110.617 178.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.574 ' O ' HG12 ' A' ' 36' ' ' ILE . 85.1 m -61.88 -37.21 83.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.355 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.413 HD12 HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -55.23 -46.6 75.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.857 -174.086 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 m -61.15 -47.6 85.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.81 -176.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 32' ' ' THR . 0.3 OUTLIER -73.18 -42.76 62.39 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.735 -174.701 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 32' ' ' THR . 46.7 pt -69.16 -29.28 42.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.139 -178.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.67 -42.32 91.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.992 0.425 . . . . 0.0 110.2 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.34 -34.41 74.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.477 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -70.99 -28.72 64.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.18 0.11 47.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.47 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.91 41.06 99.96 Favored Glycine 0 C--N 1.33 0.222 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.795 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.69 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -141.17 173.04 11.87 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -176.855 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.619 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 7.4 p -88.09 152.3 22.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.841 0.353 . . . . 0.0 111.927 -175.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.79 -46.24 91.28 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.145 -175.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.476 ' HG2' ' N ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -56.64 -38.14 71.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.173 -176.834 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.69 ' HB2' HD11 ' A' ' 42' ' ' LEU . 3.6 mm100 -72.3 -36.16 68.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.586 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.432 HG22 ' CE1' ' A' ' 51' ' ' PHE . 0.2 OUTLIER -64.83 -49.79 69.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.099 0.476 . . . . 0.0 110.178 179.152 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.11 -46.8 89.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.966 -178.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -38.44 89.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.364 -178.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.477 ' HH2' ' HA ' ' A' ' 18' ' ' GLU . 84.5 t90 -74.42 -49.98 20.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.472 ' CB ' ' HB3' ' A' ' 28' ' ' PRO . 10.2 m-85 -57.5 -41.81 81.5 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.035 0.445 . . . . 0.0 110.725 -177.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -31.43 72.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.201 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -33.54 67.12 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.122 -0.231 . . . . 0.0 110.781 -177.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -71.83 -26.54 62.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.752 0.31 . . . . 0.0 110.983 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -54.67 -43.59 72.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.63 -179.064 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.81 -32.59 62.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.522 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -81.05 -43.73 19.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.686 -175.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -55.4 -40.49 71.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.714 -172.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -65.52 -27.66 68.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.369 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -39.55 27.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.823 -177.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -38.8 86.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.947 0.403 . . . . 0.0 110.478 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.491 ' HB2' HD23 ' A' ' 64' ' ' LEU . 6.6 mm-40 -70.31 -35.37 73.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.646 177.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 67.42 38.02 90.7 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.083 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.491 HD23 ' HB2' ' A' ' 62' ' ' GLU . 1.1 pp -86.67 114.98 60.64 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 121.112 0.482 . . . . 0.0 110.688 -178.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.916 ' HA ' ' HB2' ' A' ' 70' ' ' SER . 56.4 Cg_endo -70.45 99.79 0.85 Allowed 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.521 2.147 . . . . 0.0 111.806 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.08 -72.94 0.68 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.24 -177.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.8 170.52 18.56 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.3 t 60.16 -150.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 -174.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.97 90.62 8.49 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.065 0.459 . . . . 0.0 110.716 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.916 ' HB2' ' HA ' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -112.51 94.26 4.83 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 172.89 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -82.92 104.43 11.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.143 -170.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.45 120.92 8.49 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.33 172.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.412 -0.804 . . . . 0.0 110.823 -177.389 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ttm . . . . . 0 N--CA 1.469 0.511 0 CA-C-O 120.71 0.291 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.59 152.13 44.26 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.678 176.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.58 148.44 51.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.84 -177.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -131.05 133.27 45.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.906 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.437 ' HB ' ' H ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -127.54 -141.68 0.27 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.24 178.812 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.437 ' H ' ' HB ' ' A' ' 5' ' ' THR . 2.1 t -96.31 -4.77 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.514 0.674 . . . . 0.0 109.474 175.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.46 163.59 18.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.261 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 167.86 -135.13 3.5 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.62 -0.592 . . . . 0.0 111.62 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.09 135.73 27.94 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.334 2.023 . . . . 0.0 112.424 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.36 -179.31 7.37 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.674 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.98 -50.01 67.51 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -174.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -33.94 75.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.087 0.47 . . . . 0.0 110.578 -177.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -68.85 -40.72 79.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.352 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.9 t -62.92 -37.47 79.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.869 175.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -59.72 -47.86 83.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.354 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.2 mt -63.17 -37.38 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.397 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.15 -50.81 62.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.189 -178.231 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -59.23 -46.41 88.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.717 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -57.68 -47.6 81.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.305 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.549 ' O ' HG12 ' A' ' 24' ' ' VAL . 2.4 m-80 -65.57 -49.29 69.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.338 -176.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.581 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 32.3 t80 -58.37 -43.03 88.24 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.54 0.209 . . . . 0.0 110.538 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -63.58 -27.33 69.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -87.57 -26.99 22.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.638 -177.386 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.82 HG21 HG21 ' A' ' 32' ' ' THR . 6.3 p -98.08 -51.82 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -177.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.409 ' N ' HG13 ' A' ' 24' ' ' VAL . 1.4 m-80 53.42 67.57 0.98 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.259 0.552 . . . . 0.0 109.777 -173.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HB2' ' H ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -94.63 -153.79 0.4 Allowed 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.269 -171.28 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.628 ' HB3' ' CD ' ' A' ' 28' ' ' PRO . 3.0 m-70 -140.22 -167.59 0.16 Allowed Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.821 -176.116 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.628 ' CD ' ' HB3' ' A' ' 27' ' ' HIS . 25.0 Cg_exo -66.76 56.3 0.48 Allowed 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 122.078 1.852 . . . . 0.0 112.782 171.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.483 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 2.5 p-10 -110.23 139.08 21.1 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.981 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.733 ' HA ' HD12 ' A' ' 33' ' ' LEU . 4.7 Cg_exo -78.95 -22.71 8.51 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 123.34 2.694 . . . . 0.0 112.176 174.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -49.54 76.72 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -171.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.82 HG21 HG21 ' A' ' 24' ' ' VAL . 2.1 m -69.6 -28.61 66.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.841 0.353 . . . . 0.0 111.562 -177.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 30' ' ' PRO . 37.5 mt -63.24 -41.32 99.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.339 -176.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.5 m -59.67 -49.87 76.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.03 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 32' ' ' THR . 0.8 OUTLIER -67.71 -38.79 84.09 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.144 -176.571 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.585 HD13 ' CZ ' ' A' ' 51' ' ' PHE . 69.1 mt -69.61 -40.22 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.836 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.52 -48.69 80.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.829 0.347 . . . . 0.0 110.465 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.12 99.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.022 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.87 -46.91 87.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.322 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.542 ' HB3' HD23 ' A' ' 42' ' ' LEU . . . -79.54 -13.82 59.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.737 -176.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.91 29.48 60.86 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.998 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.542 HD23 ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -125.32 167.83 14.36 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -178.007 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.61 ' HB ' ' OE1' ' A' ' 45' ' ' GLU . 4.3 p -88.94 142.93 27.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.808 0.337 . . . . 0.0 111.337 -174.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -50.88 -38.74 51.34 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.74 -175.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.61 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 2.0 mp0 -54.14 -48.01 71.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.46 -177.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.528 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 7.5 mt-30 -73.05 -33.4 65.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.828 0.347 . . . . 0.0 110.716 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.409 HG23 HD21 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -66.02 -47.1 75.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.781 179.732 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 52' ' ' LYS . 29.4 tt0 -59.55 -44.43 93.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.834 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -43.67 88.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.908 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.486 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 84.5 t90 -72.66 -49.94 28.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.242 -176.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.585 ' CZ ' HD13 ' A' ' 36' ' ' ILE . 24.4 m-85 -62.98 -27.83 69.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.474 -177.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 3.5 tttp -66.52 -42.13 87.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.058 178.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -69.66 -28.32 65.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.784 -177.877 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.444 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 2.4 mmp_? -77.55 -36.08 52.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.283 177.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.549 HD11 ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -55.37 -41.56 72.78 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.144 177.422 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 60' ' ' ARG . . . -63.26 -54.65 33.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.796 177.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.22 -43.81 95.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.59 -176.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 5.9 t90 -60.19 -46.53 89.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.407 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.474 ' O ' ' HA2' ' A' ' 63' ' ' GLY . 61.5 mtm180 -68.35 -20.33 64.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.608 -177.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -75.37 -58.9 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.168 0.508 . . . . 0.0 110.356 175.677 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -75.13 -47.82 26.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.435 -174.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -91.62 -36.1 13.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.761 0.315 . . . . 0.0 111.028 -177.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . 83.49 -139.68 19.04 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.764 -0.731 . . . . 0.0 111.984 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.68 129.32 25.43 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.2 -43.24 3.25 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.881 2.387 . . . . 0.0 113.362 -177.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.55 91.21 3.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.982 0.42 . . . . 0.0 111.482 -176.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.424 ' HB3' ' H ' ' A' ' 68' ' ' CYS . 1.2 tt0 -86.72 -86.33 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.325 177.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.424 ' H ' ' HB3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -97.6 -46.81 5.88 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.289 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -99.48 164.8 11.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.542 176.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.61 83.81 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.163 0.506 . . . . 0.0 111.173 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.8 t -98.08 145.93 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 174.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.4 t -120.67 151.96 38.83 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.93 -175.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.252 1.187 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.071 173.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.464 0.274 0 CA-C-O 120.942 0.401 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.88 -24.31 67.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.684 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.71 96.68 6.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.057 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -107.7 88.1 2.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.193 0.521 . . . . 0.0 109.766 177.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.63 68.17 0.66 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.552 -178.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.612 HG13 ' HE3' ' A' ' 49' ' ' LYS . 14.0 t -72.68 -52.67 21.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.119 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.1 m -160.57 133.68 6.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.468 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -142.67 65.56 0.48 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.892 174.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -90.9 110.79 0.35 Allowed 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 123.136 2.557 . . . . 0.0 112.581 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 p -78.76 167.66 20.87 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.241 177.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -56.3 -36.42 68.64 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -174.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -65.78 -38.54 89.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.249 0.547 . . . . 0.0 110.457 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -73.63 -36.51 65.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.113 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.472 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 16.5 t -64.7 -28.77 45.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.61 -49.4 62.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.85 177.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mt -68.09 -41.67 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.253 177.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.29 -48.78 79.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.569 -177.858 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -62.39 -38.37 89.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.445 179.878 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -61.71 -47.27 86.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.049 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.439 ' O ' ' HB ' ' A' ' 24' ' ' VAL . 11.7 m120 -58.04 -53.49 57.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.333 177.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.527 ' O ' HG12 ' A' ' 24' ' ' VAL . 39.4 t80 -61.22 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.337 . . . . 0.0 111.204 -177.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.2 m-80 -69.36 -38.34 78.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.717 0.294 . . . . 0.0 111.182 -177.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -83.69 -19.55 35.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.769 -177.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 21' ' ' PHE . 1.0 OUTLIER -79.4 -5.69 8.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.2 0.524 . . . . 0.0 110.761 178.577 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 75.43 48.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.583 -1.189 . . . . 0.0 109.779 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' O ' ' HD3' ' A' ' 28' ' ' PRO . 0.8 OUTLIER 73.36 -55.72 0.67 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.006 176.214 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -89.1 111.02 42.5 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.79 0.328 . . . . 0.0 111.566 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 26' ' ' LYS . 85.0 Cg_endo -81.75 155.94 18.19 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.622 2.215 . . . . 0.0 112.019 177.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.28 160.35 31.62 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.78 -36.46 95.26 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.339 2.026 . . . . 0.0 111.414 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -41.53 95.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.678 176.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.449 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.4 OUTLIER -61.63 -48.06 82.57 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.793 179.338 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.0 mt -55.14 -39.13 69.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.161 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.3 t -68.76 -51.31 42.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.304 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' A' ' 32' ' ' THR . 0.9 OUTLIER -70.83 -35.73 72.59 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -173.543 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 32' ' ' THR . 7.4 pt -76.13 -35.2 27.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.884 -179.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -65.51 -43.06 91.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.429 . . . . 0.0 110.285 178.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.79 -47.46 80.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.84 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -38.46 91.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.468 -178.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.72 -22.22 37.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.507 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.92 33.85 25.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.585 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.614 HD11 ' HB2' ' A' ' 46' ' ' GLN . 1.1 tp -125.91 153.25 44.49 Favored 'General case' 0 N--CA 1.434 -1.229 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -175.133 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.452 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -86.79 153.41 21.7 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.623 -0.431 . . . . 0.0 112.064 -175.337 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -51.33 -46.35 62.59 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 114.88 -1.055 . . . . 0.0 112.887 -175.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -55.49 -42.02 73.85 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.346 -176.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.614 ' HB2' HD11 ' A' ' 42' ' ' LEU . 29.9 mt-30 -72.5 -43.62 63.38 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.931 -177.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -48.25 82.28 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.983 0.42 . . . . 0.0 110.78 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -38.0 89.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.188 -177.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.612 ' HE3' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -70.11 -47.13 63.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.704 0.287 . . . . 0.0 110.968 -178.559 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -64.59 -46.69 81.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.69 -178.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.411 ' HZ ' ' HB2' ' A' ' 20' ' ' ASN . 14.0 m-85 -61.72 -37.9 85.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.34 . . . . 0.0 110.102 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.11 -37.38 87.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.099 178.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -42.21 98.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.02 0.438 . . . . 0.0 109.986 178.189 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.51 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 5.3 mmt180 -74.57 -31.0 61.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.334 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.53 -38.03 89.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.037 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.26 -46.87 87.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.961 175.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -59.42 -45.26 92.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.667 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -57.93 -47.52 82.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.457 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 -63.81 -39.65 94.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.074 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -63.47 -55.32 25.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.147 0.498 . . . . 0.0 111.148 179.436 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 m -58.87 -49.5 77.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.758 -177.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -72.09 -33.19 67.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.905 0.384 . . . . 0.0 111.177 -178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.51 50.85 10.64 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.446 -177.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.3 145.54 38.77 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 120.671 0.272 . . . . 0.0 110.621 -177.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.449 ' HA ' ' OG1' ' A' ' 72' ' ' THR . 85.1 Cg_endo -89.12 -150.13 0.04 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 122.939 2.426 . . . . 0.0 112.397 177.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.401 ' H ' ' HB2' ' A' ' 65' ' ' PRO . 0.1 OUTLIER -114.83 -72.92 0.67 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 176.721 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' HG3' ' H ' ' A' ' 68' ' ' CYS . 1.1 tp10 -89.04 177.06 6.75 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 174.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.421 ' H ' ' HG3' ' A' ' 67' ' ' GLU . 2.7 m -77.44 65.56 3.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.338 0.59 . . . . 0.0 111.252 -178.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -118.73 -174.25 2.65 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.468 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.75 148.5 24.71 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 175.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.1 p -62.81 139.01 21.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.33 0.586 . . . . 0.0 111.712 -174.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.449 ' OG1' ' HA ' ' A' ' 65' ' ' PRO . 0.5 OUTLIER -81.69 -178.89 7.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.063 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.4 t70 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.314 -0.85 . . . . 0.0 111.423 176.666 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ttp . . . . . 0 N--CA 1.471 0.606 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.6 138.51 41.48 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 68.83 -83.66 0.03 OUTLIER 'General case' 0 C--O 1.233 0.217 0 O-C-N 124.227 0.954 . . . . 0.0 110.378 -173.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -135.36 148.05 49.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -44.24 96.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.151 0.5 . . . . 0.0 110.265 176.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 t -107.97 73.47 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.649 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.418 ' OG ' ' HE2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -91.51 5.88 47.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.101 178.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.27 137.37 15.35 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.378 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.607 ' HB2' ' HB2' ' A' ' 13' ' ' GLN . 56.7 Cg_endo -68.95 163.55 37.13 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 123.091 2.527 . . . . 0.0 112.162 177.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.98 171.43 14.09 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.737 -177.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -53.05 -43.44 66.65 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.514 -176.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -45.62 81.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.778 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.607 ' HB2' ' HB2' ' A' ' 9' ' ' PRO . 28.5 mm100 -72.94 -35.43 66.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.858 -177.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.4 t -56.38 -35.34 43.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.487 178.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -46.19 82.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.443 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.428 HG21 ' HA ' ' A' ' 40' ' ' ALA . 21.5 mt -67.98 -33.84 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.539 0.685 . . . . 0.0 110.463 178.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.602 HD11 HG23 ' A' ' 47' ' ' THR . 0.1 OUTLIER -71.31 -49.23 44.82 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.844 -177.03 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 2.5 mt-10 -59.63 -41.43 90.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.3 -176.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -42.46 96.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 0.0 110.037 177.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -67.5 -51.44 51.07 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.801 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.602 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 32.8 t80 -58.06 -41.37 83.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.567 0.222 . . . . 0.0 110.595 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.6 t-20 -61.17 -41.88 97.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.061 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 3.42 47.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.356 -178.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.54 HG12 ' N ' ' A' ' 25' ' ' ASN . 3.0 t -114.97 -70.83 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -176.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.54 ' N ' HG12 ' A' ' 24' ' ' VAL . 2.8 m120 60.31 96.32 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 O-C-N 123.494 0.496 . . . . 0.0 110.239 -174.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HB2' ' H ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -132.56 -158.16 0.87 Allowed 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 122.017 0.913 . . . . 0.0 111.498 -171.551 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.469 ' H ' ' HB2' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -140.0 -178.58 0.85 Allowed Pre-proline 0 C--N 1.313 -1.021 0 CA-C-N 113.705 -1.589 . . . . 0.0 107.118 178.014 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -53.3 100.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 121.662 1.574 . . . . 0.0 111.293 169.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.465 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -150.99 135.75 9.96 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.641 -174.54 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 29' ' ' ASP . 5.8 Cg_exo -79.41 -36.55 0.64 Allowed 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 123.858 3.039 . . . . 0.0 112.647 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -50.01 67.95 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -170.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.422 ' O ' HG12 ' A' ' 36' ' ' ILE . 1.7 m -68.77 -28.85 67.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 111.52 -178.231 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.423 HD21 ' HB2' ' A' ' 48' ' ' GLN . 3.1 tp -67.58 -43.22 81.11 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -172.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -46.64 71.33 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.35 -45.58 31.42 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.488 -175.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.435 HD12 ' CZ ' ' A' ' 51' ' ' PHE . 39.0 pt -67.09 -32.75 59.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.655 -175.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.33 -41.53 89.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.936 0.398 . . . . 0.0 110.207 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.0 -40.7 82.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.586 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.79 -30.11 70.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.45 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.428 ' HA ' HG21 ' A' ' 16' ' ' ILE . . . -85.02 -22.42 29.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.748 0.308 . . . . 0.0 110.703 177.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.93 31.54 59.88 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.18 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.568 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -135.13 165.18 25.99 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 -175.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.452 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 1.1 p -73.35 153.01 40.67 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.415 0.626 . . . . 0.0 112.112 -172.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.4 ' HG2' HD23 ' A' ' 33' ' ' LEU . 6.4 mt-10 -60.19 -43.86 95.54 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.157 -0.929 . . . . 0.0 112.335 -176.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 2.0 mp0 -52.53 -49.45 64.82 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.31 0.381 . . . . 0.0 111.784 -175.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.568 ' HB2' HD11 ' A' ' 42' ' ' LEU . 1.4 mt-30 -67.13 -45.16 77.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.531 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.602 HG23 HD11 ' A' ' 17' ' ' LEU . 2.3 m -59.51 -45.32 92.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.137 178.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.423 ' HB2' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -65.44 -45.53 83.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.062 -178.198 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.418 ' HE2' ' OG ' ' A' ' 7' ' ' SER . 12.5 tptt -63.14 -43.69 97.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.612 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.507 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 77.3 t90 -63.95 -48.46 76.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.193 -179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CD2' ' HD2' ' A' ' 21' ' ' PHE . 13.2 m-85 -64.63 -27.34 68.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.562 -178.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.11 -33.43 56.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.995 0.426 . . . . 0.0 110.344 176.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -63.85 -48.29 77.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.553 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.485 ' HG3' ' CH2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -67.44 -25.29 65.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.455 -179.701 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' HG ' ' CE3' ' A' ' 58' ' ' TRP . 0.2 OUTLIER -63.25 -38.51 91.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.994 179.335 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.4 80.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.466 ' HG3' ' HA ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -81.68 -41.95 20.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.492 179.335 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.537 ' CD1' ' HG3' ' A' ' 62' ' ' GLU . 5.8 t90 -55.86 -45.0 78.61 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.072 -177.354 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.404 ' HG2' ' CE3' ' A' ' 58' ' ' TRP . 2.0 mmm180 -65.02 -21.45 66.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.717 -176.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -79.3 -57.38 3.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.913 0.387 . . . . 0.0 110.688 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -27.08 67.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.108 -173.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.537 ' HG3' ' CD1' ' A' ' 58' ' ' TRP . 0.4 OUTLIER -79.88 4.87 15.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.7 0.286 . . . . 0.0 111.34 -179.535 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.35 34.77 68.93 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.796 176.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mt -101.54 133.27 20.94 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.03 109.3 0.32 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.067 2.512 . . . . 0.0 112.075 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.58 37.6 1.06 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.129 0.49 . . . . 0.0 111.216 -176.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.2 58.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.348 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 71.7 m 63.05 -156.18 0.33 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.356 -173.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.13 89.48 7.3 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.259 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.92 176.48 7.28 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.845 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.8 104.65 17.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.12 114.64 24.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.473 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.6 t0 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.681 -0.675 . . . . 0.0 110.241 178.402 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.853 0.358 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.65 56.24 1.65 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.674 177.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.29 12.39 36.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.579 -174.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -73.86 95.91 2.51 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 175.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.62 -63.89 1.3 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -171.145 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 p -109.63 143.25 20.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.149 0.5 . . . . 0.0 112.093 -172.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.71 116.06 10.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.52 -0.763 . . . . 0.0 109.945 174.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.19 89.18 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.169 -178.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -63.11 128.06 21.88 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.755 2.303 . . . . 0.0 111.947 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.53 170.76 15.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.342 178.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -51.24 -44.02 61.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.065 0.459 . . . . 0.0 110.439 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -51.9 -51.62 55.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.12 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.511 ' HA ' HD12 ' A' ' 16' ' ' ILE . 29.7 mm100 -72.71 -35.25 67.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.925 -176.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 t -63.56 -29.42 47.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.387 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -66.7 -44.32 81.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.99 0.424 . . . . 0.0 110.319 177.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 13' ' ' GLN . 12.1 mt -66.23 -33.47 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.681 0.753 . . . . 0.0 109.945 176.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.703 HD11 HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -73.03 -49.02 31.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.56 -179.339 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.64 -44.11 85.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.259 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -40.46 94.84 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 177.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.431 ' O ' HG12 ' A' ' 24' ' ' VAL . 1.0 OUTLIER -70.22 -57.13 5.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.692 -175.203 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.427 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 25.2 t80 -54.96 -37.08 66.03 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -173.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.92 -7.12 58.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.221 -0.299 . . . . 0.0 111.762 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.46 -57.21 2.16 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -176.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.436 HG21 HG23 ' A' ' 32' ' ' THR . 0.2 OUTLIER -75.03 -61.99 1.49 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.542 0.21 . . . . 0.0 111.101 -175.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -178.63 156.62 0.9 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -177.165 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' O ' HD13 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -82.75 -22.83 34.24 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -171.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 0.5 OUTLIER -93.28 126.58 50.12 Favored Pre-proline 0 C--N 1.321 -0.663 0 O-C-N 122.246 -0.283 . . . . 0.0 111.157 -175.649 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.624 ' HG3' ' HB3' ' A' ' 51' ' ' PHE . 36.2 Cg_exo -59.81 97.32 0.11 Allowed 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.452 2.101 . . . . 0.0 111.857 177.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.03 149.1 35.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.425 -178.345 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.32 -43.11 61.67 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 123.038 2.492 . . . . 0.0 112.275 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -45.38 94.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.616 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.436 HG23 HG21 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -66.22 -49.02 68.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.219 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.627 ' HB3' ' HG2' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -55.84 -52.41 64.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.531 -0.758 . . . . 0.0 112.048 -172.211 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.3 m -60.71 -41.7 95.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.874 0.368 . . . . 0.0 111.728 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 mt -77.91 -50.17 12.75 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -173.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.539 HG13 ' N ' ' A' ' 37' ' ' ALA . 1.4 pt -80.67 -32.92 13.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -171.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.539 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -64.08 -50.35 68.68 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.757 0.313 . . . . 0.0 110.801 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.3 -45.39 88.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.055 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -34.08 75.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.241 -178.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.74 -22.31 60.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.744 0.307 . . . . 0.0 110.75 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.18 23.01 11.78 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.857 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 42' ' ' LEU . 20.9 mt -125.75 -177.5 3.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.0 p -113.94 168.29 9.92 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.19 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.627 ' HG2' ' HB3' ' A' ' 33' ' ' LEU . 1.6 mt-10 -60.21 -45.06 94.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.939 -175.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -63.74 -36.18 83.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.005 -174.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -70.52 -48.57 54.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.059 0.457 . . . . 0.0 110.673 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.703 HG23 HD11 ' A' ' 17' ' ' LEU . 2.6 m -69.6 -36.37 76.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.878 -176.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.87 -45.73 92.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.035 0.445 . . . . 0.0 110.536 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.69 -41.47 95.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.753 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.466 ' CH2' ' HG3' ' A' ' 54' ' ' ARG . 83.2 t90 -66.02 -48.7 70.29 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.419 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.624 ' HB3' ' HG3' ' A' ' 28' ' ' PRO . 3.7 m-85 -55.9 -42.97 76.82 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 120.958 0.409 . . . . 0.0 110.05 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.446 ' HD3' ' HG2' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -63.37 -36.87 85.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.293 179.439 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.536 ' HG2' ' HD3' ' A' ' 54' ' ' ARG . 10.0 tt0 -60.9 -46.93 88.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.618 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.536 ' HD3' ' HG2' ' A' ' 53' ' ' GLN . 1.5 mmt85 -73.76 -29.67 62.35 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 26' ' ' LYS . 16.9 tp -60.99 -46.89 88.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.843 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.35 96.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.642 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -66.13 -43.97 85.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.843 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.43 ' CD1' ' HG3' ' A' ' 62' ' ' GLU . 2.0 t90 -55.75 -44.89 78.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.227 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.3 mtm105 -61.19 -51.51 68.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.683 -176.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 60' ' ' ARG . 0.4 OUTLIER -66.66 -28.47 68.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.505 -175.851 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.8 m -81.41 -27.74 34.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.784 0.325 . . . . 0.0 111.101 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.43 ' HG3' ' CD1' ' A' ' 58' ' ' TRP . 0.1 OUTLIER -79.09 -13.58 59.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.81 0.338 . . . . 0.0 111.172 -179.347 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.3 -0.64 26.64 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.763 176.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.22 124.5 89.29 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.452 ' HB3' ' O ' ' A' ' 70' ' ' SER . 2.6 Cg_endo -44.66 -72.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 124.131 3.221 . . . . 0.0 113.33 -173.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.98 -171.49 0.1 Allowed 'General case' 0 CA--C 1.536 0.426 0 O-C-N 123.539 0.524 . . . . 0.0 111.126 -178.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 65.77 -79.84 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.187 0.595 . . . . 0.0 111.466 177.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 62.2 m -132.11 -128.8 0.19 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -116.36 91.76 3.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.419 0.628 . . . . 0.0 110.77 177.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.452 ' O ' ' HB3' ' A' ' 65' ' ' PRO . 1.5 m -115.22 93.94 4.51 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.408 175.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -60.58 104.29 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.34 -176.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.78 75.34 4.27 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.393 176.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.8 t70 . . . . . 0 C--O 1.245 0.865 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.354 -176.046 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.47 0 CA-C-O 121.058 0.456 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.11 139.36 58.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.751 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.88 -74.0 0.17 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.02 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -135.85 152.2 50.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.803 0.335 . . . . 0.0 110.587 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.48 115.14 8.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.385 175.028 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.4 t -71.5 114.91 10.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.654 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 m 59.69 58.44 2.85 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.473 0.654 . . . . 0.0 110.361 -178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.21 -166.2 21.62 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.357 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.88 130.11 21.09 Favored 'Trans proline' 0 N--CA 1.464 -0.24 0 C-N-CA 122.377 2.051 . . . . 0.0 111.851 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.59 -179.5 7.15 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.001 -175.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.49 -40.23 65.2 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -173.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.86 -43.2 98.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.882 0.373 . . . . 0.0 110.97 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -73.3 -36.1 66.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.276 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.4 t -59.36 -31.54 46.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.83 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.81 -43.64 97.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.959 0.409 . . . . 0.0 110.77 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.5 mt -75.88 -39.64 38.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.917 177.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -63.77 -49.75 71.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.588 -176.4 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.464 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.6 OUTLIER -60.58 -39.32 87.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.746 -177.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -65.93 -45.59 81.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.967 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.445 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -61.74 -50.96 70.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.323 -178.626 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.523 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 68.6 t80 -60.19 -37.42 80.17 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.644 0.259 . . . . 0.0 111.11 -178.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -70.9 -27.37 63.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.796 0.332 . . . . 0.0 110.91 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.86 -41.67 14.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.018 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.531 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 33.8 m -74.81 -25.5 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 121.09 0.472 . . . . 0.0 110.654 178.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.531 ' HB2' ' O ' ' A' ' 24' ' ' VAL . 5.2 m-20 83.01 -73.13 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 114.306 -1.315 . . . . 0.0 109.905 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.478 ' HE3' ' CE2' ' A' ' 58' ' ' TRP . 7.6 mmtm -121.44 -145.65 0.36 Allowed 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 173.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -140.85 85.52 12.47 Favored Pre-proline 0 C--N 1.315 -0.935 0 CA-C-O 121.155 0.502 . . . . 0.0 110.81 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.452 ' O ' ' HB2' ' A' ' 29' ' ' ASP . 7.8 Cg_exo -72.61 95.67 0.8 Allowed 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.824 2.349 . . . . 0.0 111.154 177.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.452 ' HB2' ' O ' ' A' ' 28' ' ' PRO . 2.5 m-20 74.25 150.64 0.13 Allowed Pre-proline 0 CA--C 1.532 0.275 0 O-C-N 124.05 0.844 . . . . 0.0 111.053 -178.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.46 -10.26 25.52 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.056 2.504 . . . . 0.0 113.255 -178.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -46.95 66.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.636 -178.259 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.559 HG22 HD13 ' A' ' 36' ' ' ILE . 18.2 m -61.75 -48.95 78.38 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.756 0.312 . . . . 0.0 110.485 176.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.69 HD11 ' HA ' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -58.2 -51.44 69.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.006 -173.823 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.6 m -59.99 -35.09 74.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.93 0.395 . . . . 0.0 111.428 -178.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 35' ' ' LEU . 43.9 mt -77.37 -49.51 14.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.411 -178.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.559 HD13 HG22 ' A' ' 32' ' ' THR . 10.2 pt -68.29 -25.42 31.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.198 -176.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.63 -52.3 66.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.078 0.466 . . . . 0.0 110.491 176.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.69 -36.85 85.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.68 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -36.22 82.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.778 177.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.23 -10.97 59.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.027 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.39 34.84 49.56 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.324 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.838 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -142.69 162.44 35.47 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -177.123 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.447 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -76.5 159.94 29.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.427 0.632 . . . . 0.0 112.401 -173.084 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.33 -49.2 78.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.734 -175.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.6 -43.22 97.67 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -173.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.838 ' HB2' HD11 ' A' ' 42' ' ' LEU . 2.0 mm100 -66.77 -37.89 85.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.875 0.369 . . . . 0.0 110.175 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 m -65.44 -43.0 91.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.549 176.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.69 ' HA ' HD11 ' A' ' 33' ' ' LEU . 1.8 tt0 -62.19 -51.47 67.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.871 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -54.96 -36.24 65.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.756 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.606 ' CH2' ' HG3' ' A' ' 54' ' ' ARG . 81.3 t90 -77.11 -51.18 11.48 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.509 -177.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.473 ' CD2' ' HD1' ' A' ' 21' ' ' PHE . 14.1 m-85 -63.03 -33.33 75.19 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.69 0.281 . . . . 0.0 110.567 -175.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -69.98 -36.46 75.21 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.995 0.426 . . . . 0.0 110.239 176.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -40.98 96.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.848 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.606 ' HG3' ' CH2' ' A' ' 50' ' ' TRP . 7.2 mmm180 -71.43 -26.11 62.6 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 120.753 0.311 . . . . 0.0 110.335 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.0 tp -67.92 -32.47 72.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.135 0.493 . . . . 0.0 110.095 177.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.34 -38.3 63.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.074 174.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -65.45 -38.79 90.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.803 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.478 ' CE2' ' HE3' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -55.57 -36.56 66.98 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.228 -177.672 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.753 ' HA ' HD12 ' A' ' 64' ' ' LEU . 12.3 mtt180 -64.07 -28.6 69.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.649 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -33.7 28.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.589 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -51.69 28.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.884 0.373 . . . . 0.0 110.91 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' HG3' ' CD1' ' A' ' 58' ' ' TRP . 4.9 mt-10 -74.33 -12.69 60.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.79 50.02 55.87 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.907 -0.664 . . . . 0.0 111.748 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' ' 59' ' ' ARG . 27.4 mt -81.44 157.15 70.59 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.86 -0.17 . . . . 0.0 110.678 -176.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.29 89.44 0.16 Allowed 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.615 2.21 . . . . 0.0 111.501 176.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.6 m -154.0 29.69 0.46 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.244 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.49 -58.37 2.58 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 175.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.2 p -90.25 -174.47 4.19 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 170.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 -84.69 85.76 7.4 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.428 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.48 81.89 1.47 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.447 175.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.9 t -92.6 105.42 16.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 120.766 0.317 . . . . 0.0 110.737 -176.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.12 75.17 10.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.294 0.569 . . . . 0.0 110.264 177.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.245 0.817 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.604 -179.057 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 tpp . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.98 52.79 1.83 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.55 0.69 . . . . 0.0 110.122 176.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.7 117.31 33.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.74 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.5 pm0 -76.36 102.01 5.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.541 0.686 . . . . 0.0 110.211 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.63 -46.99 3.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.536 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.92 -11.72 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.235 0.541 . . . . 0.0 110.531 178.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.54 142.75 30.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.166 178.03 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.405 ' HA3' ' HD3' ' A' ' 9' ' ' PRO . . . -126.96 -130.04 3.33 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.38 -178.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.405 ' HD3' ' HA3' ' A' ' 8' ' ' GLY . 12.0 Cg_exo -69.57 115.93 4.3 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.955 2.437 . . . . 0.0 112.379 -177.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.37 -180.0 6.64 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.812 178.051 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.62 -46.04 77.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.959 0.409 . . . . 0.0 110.871 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -62.28 -40.56 96.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.747 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.774 ' HG3' HD11 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -71.64 -35.42 70.4 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.974 -177.211 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.8 t -58.31 -31.28 42.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.588 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.73 -47.65 71.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.35 0.595 . . . . 0.0 110.317 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.8 mt -64.43 -34.06 66.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.468 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -71.78 -49.16 41.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.092 -179.788 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -59.54 -48.19 82.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.513 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.1 t80 -54.05 -43.51 70.29 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.982 0.42 . . . . 0.0 110.325 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.526 ' O ' HG12 ' A' ' 24' ' ' VAL . 4.8 m-80 -69.29 -59.35 3.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.895 -178.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.447 ' CB ' ' HZ3' ' A' ' 50' ' ' TRP . 22.5 t80 -55.5 -41.16 72.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.796 -173.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -81.46 -5.79 58.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.707 0.289 . . . . 0.0 111.614 -176.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -104.27 -68.39 0.85 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.358 -178.452 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.72 HG11 HG21 ' A' ' 32' ' ' THR . 1.1 p -64.48 -65.57 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.265 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -172.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.521 ' H ' HG13 ' A' ' 24' ' ' VAL . 16.9 t30 -172.52 141.46 1.15 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -171.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -75.86 -21.96 56.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.982 0.42 . . . . 0.0 111.251 -175.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -89.17 132.53 37.43 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.303 178.902 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 27' ' ' HIS . 36.8 Cg_exo -61.74 88.62 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.034 2.489 . . . . 0.0 112.406 178.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -83.24 147.82 54.48 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.731 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -64.65 -32.54 57.57 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.871 2.38 . . . . 0.0 112.046 -177.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -47.09 85.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.925 179.197 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.72 HG21 HG11 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -78.44 -45.41 22.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.284 -177.006 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.0 mt -54.48 -62.41 1.67 Allowed 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -168.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.58 -32.1 72.61 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -173.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.573 ' HG ' ' N ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -75.58 -47.72 25.48 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.141 -0.223 . . . . 0.0 110.944 -175.781 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.573 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 1.4 pt -78.45 -25.46 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.082 -176.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.419 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -61.17 -50.39 73.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.721 0.296 . . . . 0.0 110.452 176.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.9 92.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.726 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.91 -39.52 79.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.022 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -90.39 15.41 10.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.047 -176.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 61.71 23.68 63.41 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.756 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.774 HD11 ' HG3' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -107.96 -178.76 3.7 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 122.77 0.428 . . . . 0.0 110.026 -178.499 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.02 164.31 16.32 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 174.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -55.63 -49.21 73.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.823 -175.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -61.04 -45.13 96.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.839 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.483 ' HB3' HD23 ' A' ' 42' ' ' LEU . 32.4 mt-30 -55.29 -53.17 59.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.574 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.479 HG23 HD11 ' A' ' 17' ' ' LEU . 1.6 m -62.86 -44.82 95.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.296 -177.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.33 -43.59 85.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.939 -178.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -63.88 -30.91 71.95 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.616 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 85.1 t90 -79.77 -48.98 12.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.435 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -54.71 -47.85 73.21 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.184 0.516 . . . . 0.0 110.561 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -29.96 69.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.563 -177.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.46 -32.57 60.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.742 -177.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' A' ' 50' ' ' TRP . 10.6 mmm180 -80.56 -18.17 49.17 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.665 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -49.09 69.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.018 0.437 . . . . 0.0 110.876 178.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 60' ' ' ARG . . . -68.4 -29.47 68.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.881 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 3.8 mm-40 -72.99 -46.06 54.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.915 -179.337 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -55.9 -45.39 78.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.325 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -28.64 64.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.209 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -75.57 -40.23 56.97 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.491 0.186 . . . . 0.0 111.163 -178.824 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.1 m -73.27 -52.98 12.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.625 0.25 . . . . 0.0 111.148 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -73.17 -25.77 60.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.962 -176.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 60.93 38.59 95.68 Favored Glycine 0 C--N 1.333 0.395 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 -177.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.486 ' O ' ' HG ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -102.56 136.77 19.29 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 121.003 0.43 . . . . 0.0 111.364 -171.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -88.66 -159.8 0.09 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.129 2.553 . . . . 0.0 111.423 176.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.446 ' H ' ' HB3' ' A' ' 69' ' ' ARG . 3.9 m -113.44 159.66 19.25 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.054 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -39.53 68.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.9 0.381 . . . . 0.0 111.621 -178.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.84 7.2 41.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.19 -178.075 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.446 ' HB3' ' H ' ' A' ' 66' ' ' SER . 14.0 tpp85 -118.97 148.52 42.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.596 -176.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.1 167.95 14.97 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.68 175.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.5 p -53.89 138.6 13.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.54 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.21 79.15 1.29 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.324 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--N 1.317 -0.816 0 CA-C-O 118.653 -0.689 . . . . 0.0 109.637 178.73 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.213 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.71 121.13 11.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.757 -172.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.75 153.5 38.16 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.751 174.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.67 89.07 2.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.988 0.423 . . . . 0.0 111.071 -177.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.71 -65.5 1.0 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 177.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 t -92.63 89.38 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.021 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.16 62.14 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.288 0.566 . . . . 0.0 110.269 175.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.79 118.27 0.78 Allowed Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.364 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.21 153.08 72.02 Favored 'Trans proline' 0 C--O 1.233 0.252 0 C-N-CA 122.748 2.299 . . . . 0.0 113.011 -178.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.79 168.94 19.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.617 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.22 -49.19 78.8 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -175.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -66.91 -29.81 69.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.161 0.505 . . . . 0.0 110.755 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -72.84 -37.58 67.37 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.008 175.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.5 t -63.76 -30.33 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.823 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -55.39 -43.46 75.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 0.0 110.612 176.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.0 mt -67.02 -36.21 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.997 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.425 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -68.79 -50.2 52.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.991 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.98 -37.93 86.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.9 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.497 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 72.9 t80 -65.67 -44.78 85.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.169 177.231 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.7 -48.35 72.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.39 -177.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.532 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 60.1 t80 -58.54 -36.64 74.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.978 0.418 . . . . 0.0 110.91 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -85.02 -12.49 53.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.969 0.414 . . . . 0.0 111.027 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 5.7 tmtt? -95.54 -36.65 11.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.172 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.539 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 35.1 m -71.65 -23.23 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 121.029 0.443 . . . . 0.0 110.698 177.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.539 ' HB2' ' O ' ' A' ' 24' ' ' VAL . 3.2 m-20 84.5 70.63 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.488 178.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' O ' ' HD3' ' A' ' 28' ' ' PRO . 2.8 mmtt 70.55 -80.67 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.484 175.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -102.03 108.27 55.92 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 120.687 0.28 . . . . 0.0 111.216 -173.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 26' ' ' LYS . 84.6 Cg_endo -90.02 177.09 2.58 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 122.923 2.415 . . . . 0.0 112.316 176.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.39 158.03 64.11 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.32 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -53.95 -42.54 65.85 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.379 2.053 . . . . 0.0 111.191 170.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -37.09 79.34 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.051 176.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.537 HG22 HD13 ' A' ' 36' ' ' ILE . 17.0 m -61.09 -48.17 82.9 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.018 177.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.5 mt -55.9 -44.7 78.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.86 -177.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.0 m -72.75 -38.18 67.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.19 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.1 -48.01 54.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.803 0.335 . . . . 0.0 111.27 -177.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.537 HD13 HG22 ' A' ' 32' ' ' THR . 5.4 pt -69.27 -25.26 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.918 -178.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.85 -52.93 62.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.868 0.366 . . . . 0.0 110.318 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.89 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.957 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -69.86 -45.31 68.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.012 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.45 -18.46 48.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.609 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.06 29.49 17.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.913 -178.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 42' ' ' LEU . 13.4 mt -115.78 161.01 19.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.704 0.288 . . . . 0.0 110.463 -176.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.26 154.41 40.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.649 173.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -48.89 -45.21 40.84 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.57 172.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 4.4 mm-40 -63.96 -39.92 95.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.286 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -61.68 -49.02 78.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.028 -176.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.407 ' O ' ' HD1' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -67.07 -48.72 67.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.794 -179.647 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -59.14 -47.72 84.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.224 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 4.3 mptt -61.89 -44.61 96.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.781 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.539 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 88.2 t90 -68.35 -52.29 34.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.301 -177.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.408 ' CD2' ' HD2' ' A' ' 21' ' ' PHE . 20.2 m-85 -58.81 -39.4 81.03 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.841 0.353 . . . . 0.0 110.512 -176.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -41.5 97.26 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.624 177.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.6 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -60.8 -43.89 97.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.42 -179.414 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 50' ' ' TRP . 9.6 mmm180 -71.32 -28.33 64.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.987 -177.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 tp -63.08 -44.96 94.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.044 0.45 . . . . 0.0 110.369 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.93 89.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.659 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.6 ' HG3' ' O ' ' A' ' 53' ' ' GLN . 24.1 mt-10 -67.8 -47.96 67.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.754 178.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.405 ' CE3' ' HG3' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -55.4 -42.86 74.65 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.255 -175.803 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.405 ' HG3' ' CE3' ' A' ' 58' ' ' TRP . 0.1 OUTLIER -60.58 -27.23 67.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.021 -178.672 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.75 -33.98 27.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.583 0.23 . . . . 0.0 110.583 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.49 -58.86 3.01 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.842 0.353 . . . . 0.0 111.38 -178.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -73.72 -35.07 65.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.332 -178.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.2 124.2 0.52 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.231 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 46.0 mt -69.46 130.42 90.75 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.623 ' HB2' HG13 ' A' ' 71' ' ' VAL . 5.7 Cg_exo -79.21 11.19 2.7 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 123.0 2.467 . . . . 0.0 112.572 -178.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 37.0 m 70.15 179.0 0.25 Allowed 'General case' 0 C--O 1.233 0.215 0 O-C-N 123.714 0.634 . . . . 0.0 111.506 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.62 -44.96 1.65 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.778 178.136 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -14.98 55.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.592 179.108 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -99.34 158.4 15.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.896 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.78 112.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 178.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.623 HG13 ' HB2' ' A' ' 65' ' ' PRO . 84.6 t -69.57 110.3 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.739 177.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -139.25 150.76 45.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.957 0.408 . . . . 0.0 111.339 -176.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.6 t70 . . . . . 0 C--O 1.248 1.017 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.109 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttt . . . . . 0 N--CA 1.467 0.379 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.65 -39.57 4.01 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.114 0.483 . . . . 0.0 110.128 176.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.08 -31.25 23.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.319 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.97 122.17 37.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.465 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.84 -74.7 0.33 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.428 0.632 . . . . 0.0 109.505 176.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.74 -82.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.935 174.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 56.15 58.8 4.07 Favored 'General case' 0 C--O 1.232 0.17 0 O-C-N 123.837 0.71 . . . . 0.0 111.502 175.045 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -126.17 -156.52 9.28 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.727 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -79.0 136.44 13.09 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.545 2.163 . . . . 0.0 112.371 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -77.47 166.99 22.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.346 177.566 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -59.04 -39.3 81.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.854 0.359 . . . . 0.0 110.724 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -35.88 81.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.957 177.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.514 HE22 ' HB1' ' A' ' 40' ' ' ALA . 10.1 tp-100 -73.01 -37.68 66.87 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.863 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 10' ' ' THR . 54.8 t -59.84 -34.46 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.447 177.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -58.3 -40.56 82.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.096 0.474 . . . . 0.0 110.751 176.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.476 HG21 ' HB2' ' A' ' 40' ' ' ALA . 10.2 mt -73.96 -44.55 50.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.113 177.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.565 HD11 HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -64.17 -49.72 70.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.015 -176.195 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.51 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.8 OUTLIER -59.61 -41.04 89.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.352 . . . . 0.0 110.984 -176.672 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.546 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -65.1 -47.73 76.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.865 177.43 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.633 ' O ' HG12 ' A' ' 24' ' ' VAL . 1.5 m-80 -65.0 -54.83 24.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.368 -175.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.46 ' CB ' ' HZ3' ' A' ' 50' ' ' TRP . 36.7 t80 -54.96 -43.25 73.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.811 -173.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.84 -13.11 59.24 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.701 -0.399 . . . . 0.0 111.07 -178.075 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.546 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 3.8 tmtt? -94.3 -63.41 1.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.748 -176.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.633 HG12 ' O ' ' A' ' 20' ' ' ASN . 1.5 p -64.63 -61.34 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.174 -173.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.493 ' H ' HG13 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -171.11 143.08 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -178.371 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -23.05 59.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.298 0.571 . . . . 0.0 109.976 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -89.7 128.87 48.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.136 176.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -61.88 104.06 0.31 Allowed 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.949 2.433 . . . . 0.0 112.869 -178.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.449 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 4.3 t70 -80.58 144.93 57.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.653 174.149 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 29' ' ' ASP . 1.0 OUTLIER -74.08 -47.22 0.26 Allowed 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 123.202 2.601 . . . . 0.0 111.376 -178.54 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -44.25 95.65 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.55 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.519 ' O ' HG12 ' A' ' 36' ' ' ILE . 29.5 m -61.8 -44.9 95.94 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.898 177.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.6 HD22 ' HB ' ' A' ' 47' ' ' THR . 10.9 mt -55.35 -55.41 31.9 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.228 0.33 . . . . 0.0 111.198 -178.021 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.0 m -61.4 -42.15 98.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.285 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.1 -50.19 62.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.517 -177.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 32' ' ' THR . 20.7 pt -73.92 -27.35 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.526 -176.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -67.48 -40.21 85.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.004 0.43 . . . . 0.0 110.022 176.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.27 94.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.201 175.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.57 -48.66 74.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.523 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.514 ' HB1' HE22 ' A' ' 13' ' ' GLN . . . -81.51 -5.45 57.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.143 -175.205 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.14 45.32 56.66 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 121.118 -0.563 . . . . 0.0 113.087 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.876 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -146.94 168.85 20.46 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.086 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.553 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 3.2 p -87.07 143.27 27.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.958 0.408 . . . . 0.0 111.598 -175.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -53.21 -41.35 65.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.981 -174.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -44.15 79.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.424 -176.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.876 ' HB2' HD11 ' A' ' 42' ' ' LEU . 4.8 mt-30 -70.22 -35.6 73.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.337 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.6 ' HB ' HD22 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -61.81 -44.52 96.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.184 0.516 . . . . 0.0 110.099 175.892 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -43.95 91.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.534 177.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -57.83 -43.12 85.61 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.462 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.598 ' CZ3' ' HG3' ' A' ' 54' ' ' ARG . 69.6 t90 -70.52 -47.04 62.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.8 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -56.05 -44.05 78.47 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.201 0.524 . . . . 0.0 110.13 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -40.9 97.37 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.455 -179.021 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.55 -32.43 73.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.887 0.375 . . . . 0.0 110.568 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.598 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 0.9 OUTLIER -73.67 -35.83 65.27 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.568 179.027 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.1 tp -53.64 -41.1 66.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.568 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.82 -49.33 47.53 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.988 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -63.5 -37.61 87.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.412 -177.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 8.1 t90 -58.62 -48.43 81.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.93 0.395 . . . . 0.0 110.788 -178.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -66.02 -37.73 86.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.71 -176.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.51 -61.65 1.74 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.878 0.37 . . . . 0.0 111.884 -178.168 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.6 m -75.64 -53.14 9.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.125 -172.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -66.46 -35.57 80.62 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.212 0.53 . . . . 0.0 109.793 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.61 158.06 33.87 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.95 173.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.712 HD13 ' HD2' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -109.98 126.89 28.07 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 175.073 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.712 ' HD2' HD13 ' A' ' 64' ' ' LEU . 70.9 Cg_endo -73.68 49.64 1.87 Allowed 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 123.224 2.616 . . . . 0.0 113.159 -175.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.32 137.91 31.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.99 177.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.79 -178.66 6.65 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -178.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.38 -23.4 46.82 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 173.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -84.77 -174.96 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.616 172.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -176.94 0.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.852 175.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.3 p -57.28 118.15 1.79 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 121.187 0.517 . . . . 0.0 110.203 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.91 77.79 5.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.185 -172.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.3 t70 . . . . . 0 C--O 1.246 0.873 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.35 176.961 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.522 -0.123 0 CA-C-O 121.319 0.581 . . . . 0.0 109.461 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -23.45 59.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.909 174.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -114.65 -179.31 3.59 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.957 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.44 141.57 24.99 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.248 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m 55.98 69.74 0.71 Allowed 'General case' 0 C--N 1.331 -0.225 0 O-C-N 123.677 0.611 . . . . 0.0 110.857 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -96.08 -34.5 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.947 -175.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 m 61.03 -160.84 0.3 Allowed 'General case' 0 CA--C 1.534 0.349 0 O-C-N 123.577 0.548 . . . . 0.0 110.843 -175.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.34 -171.98 50.47 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.493 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -88.11 135.36 3.26 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 123.313 2.675 . . . . 0.0 112.199 177.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.483 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -78.15 178.21 7.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.958 0.408 . . . . 0.0 111.357 179.689 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -56.96 -39.1 73.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.983 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -65.73 -36.33 83.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.114 0.483 . . . . 0.0 110.531 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -72.31 -35.72 68.73 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.191 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 10' ' ' THR . 79.0 t -60.66 -36.18 68.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.503 177.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.86 -46.66 84.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.904 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.14 -42.05 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-O 121.01 0.434 . . . . 0.0 110.274 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -61.19 -48.15 82.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.284 179.648 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.526 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 1.0 OUTLIER -59.64 -37.35 78.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.118 -177.832 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.409 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 48.1 t80 -64.14 -49.86 70.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.398 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.679 ' O ' HG12 ' A' ' 24' ' ' VAL . 79.5 m-20 -60.8 -57.61 11.94 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.366 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.466 ' HE1' HD23 ' A' ' 55' ' ' LEU . 20.6 t80 -54.8 -40.64 69.7 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.351 0.407 . . . . 0.0 111.581 -173.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -70.18 -33.56 71.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.04 0.447 . . . . 0.0 111.254 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -89.56 -45.79 9.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.19 -172.34 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.705 HG21 HG21 ' A' ' 32' ' ' THR . 6.7 p -69.25 -66.47 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -172.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.569 ' H ' HG13 ' A' ' 24' ' ' VAL . 1.7 t-20 -174.68 153.05 1.72 Allowed 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 111.171 -172.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -71.13 -33.61 70.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.898 170.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -122.58 81.13 47.5 Favored Pre-proline 0 N--CA 1.453 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.29 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.549 ' HG2' ' CD2' ' A' ' 51' ' ' PHE . 3.8 Cg_exo -82.15 144.76 13.43 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 123.22 2.614 . . . . 0.0 112.318 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.3 160.25 65.64 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.313 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.474 ' HA ' ' HB2' ' A' ' 33' ' ' LEU . 64.8 Cg_exo -54.85 -28.93 60.7 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.835 2.356 . . . . 0.0 112.14 173.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -45.76 93.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.105 176.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.705 HG21 HG21 ' A' ' 24' ' ' VAL . 9.7 m -61.71 -43.33 99.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.996 174.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.807 HD21 ' HB2' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -55.76 -45.98 77.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.231 -179.362 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.1 m -56.26 -51.48 67.99 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -177.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.608 HD12 HG23 ' A' ' 36' ' ' ILE . 0.4 OUTLIER -70.47 -39.07 74.48 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.825 -174.154 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.608 HG23 HD12 ' A' ' 35' ' ' LEU . 15.3 pt -74.74 -32.77 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.918 -178.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.41 88.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.757 0.313 . . . . 0.0 110.16 177.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.65 -36.18 81.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.968 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.85 -47.1 69.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.93 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.86 -22.38 49.94 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.917 -176.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.28 0.91 61.15 Favored Glycine 0 N--CA 1.453 -0.177 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -176.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -78.52 177.85 8.22 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.678 -0.761 . . . . 0.0 111.43 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.73 177.92 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.411 174.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -55.98 -50.24 71.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.994 -178.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -63.91 -49.23 73.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.268 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -57.04 -50.23 73.37 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.438 -178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.6 m -61.47 -46.58 89.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.262 -176.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.807 ' HB2' HD21 ' A' ' 33' ' ' LEU . 5.6 tp-100 -66.35 -42.98 87.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.808 0.337 . . . . 0.0 110.623 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.76 -45.72 91.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.663 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.53 ' CH2' ' HG3' ' A' ' 54' ' ' ARG . 78.3 t90 -67.24 -46.36 74.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.005 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.549 ' CD2' ' HG2' ' A' ' 28' ' ' PRO . 5.1 m-85 -58.47 -42.74 88.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.388 . . . . 0.0 110.133 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.562 ' HA ' ' HB2' ' A' ' 55' ' ' LEU . 1.5 tptt -70.96 -29.16 65.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 178.209 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -36.89 82.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.054 177.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.53 ' HG3' ' CH2' ' A' ' 50' ' ' TRP . 1.2 mmt180 -80.03 -24.41 40.77 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.562 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -58.54 -44.66 89.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.782 174.342 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.22 -40.69 96.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.347 175.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 4.1 mm-40 -59.73 -49.22 78.58 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.597 177.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -60.46 -46.66 89.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.359 . . . . 0.0 110.381 178.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -36.75 81.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.647 -177.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 57' ' ' GLU . 17.0 ptt180 -82.46 -23.56 34.69 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.226 179.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.1 m -69.74 -61.45 1.78 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.605 0.241 . . . . 0.0 110.93 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.47 -35.83 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.372 . . . . 0.0 111.429 -175.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.76 167.34 43.4 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.402 -174.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.461 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 1.3 mp -119.64 136.34 24.68 Favored Pre-proline 0 C--N 1.32 -0.705 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.477 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 8.0 Cg_exo -71.39 60.41 2.61 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.962 2.442 . . . . 0.0 112.264 177.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.5 m -149.06 151.66 34.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.375 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -175.6 94.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.3 m 71.47 -48.9 0.68 Allowed 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.731 0.644 . . . . 0.0 110.488 -173.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -85.74 170.93 12.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.768 174.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.9 m -75.48 -174.85 2.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.124 0.487 . . . . 0.0 111.547 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -69.35 126.13 28.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.217 -178.721 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.59 74.71 6.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.005 0.431 . . . . 0.0 109.916 173.398 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.8 t70 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.339 -0.839 . . . . 0.0 109.405 178.644 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.222 0 CA-C-O 120.637 0.256 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.502 ' HB2' HG23 ' A' ' 5' ' ' THR . 0.6 OUTLIER -64.57 130.57 44.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.915 0.388 . . . . 0.0 111.544 -178.433 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.33 -51.02 63.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.282 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.82 87.97 7.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.234 0.54 . . . . 0.0 110.018 179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.502 HG23 ' HB2' ' A' ' 2' ' ' SER . 0.0 OUTLIER -120.12 -42.76 2.57 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.083 -178.734 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.404 ' H ' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -57.09 -59.34 3.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.007 -177.585 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.8 m -141.1 169.15 18.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.589 -176.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.63 -153.48 6.65 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 177.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -65.82 107.04 1.02 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.66 2.24 . . . . 0.0 111.848 178.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -74.99 172.03 13.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.968 -178.597 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.29 -49.74 75.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 111.395 -176.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -66.26 -26.76 67.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.07 0.462 . . . . 0.0 110.594 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.587 ' NE2' ' HB1' ' A' ' 40' ' ' ALA . 47.9 tp60 -72.72 -40.08 66.42 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.506 177.582 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 10' ' ' THR . 62.3 t -65.99 -31.88 55.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.988 178.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -54.24 -35.25 62.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 176.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.4 mt -83.73 -46.58 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-O 121.11 0.481 . . . . 0.0 109.925 177.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -59.01 -45.92 89.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.939 -176.089 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.498 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 1.0 OUTLIER -58.32 -47.2 84.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.096 0.474 . . . . 0.0 110.256 179.339 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.587 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.7 t80 -60.14 -42.56 95.09 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.683 178.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.753 ' O ' HG12 ' A' ' 24' ' ' VAL . 92.0 m-20 -58.37 -60.3 4.0 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.692 176.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -57.42 -46.6 83.35 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.263 -171.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -80.65 -11.17 59.68 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.771 -174.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.587 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -95.72 -35.88 11.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.515 0.198 . . . . 0.0 111.439 -179.846 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.88 HG21 HG21 ' A' ' 32' ' ' THR . 1.6 p -78.56 -65.37 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.288 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.53 ' H ' HG13 ' A' ' 24' ' ' VAL . 18.1 t30 171.08 150.8 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -170.284 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -67.45 -19.11 65.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.015 0.436 . . . . 0.0 111.227 -176.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -113.43 108.88 51.75 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 120.973 0.416 . . . . 0.0 111.074 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.24 117.13 4.97 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.748 2.299 . . . . 0.0 112.59 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.55 162.06 54.51 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -52.46 -44.55 46.18 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.464 2.109 . . . . 0.0 112.173 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -39.29 92.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.967 178.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.88 HG21 HG21 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -69.03 -47.31 65.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.418 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.3 mt -58.09 -46.05 86.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.295 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.93 -41.62 99.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.838 -176.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -38.07 47.93 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.62 0.248 . . . . 0.0 110.689 -177.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.603 HD12 HG22 ' A' ' 32' ' ' THR . 7.2 mt -71.01 -41.91 76.85 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.096 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.382 -178.21 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -59.95 -39.94 87.29 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 175.074 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.45 -49.11 74.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.624 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -61.99 -48.01 82.25 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.587 ' HB1' ' NE2' ' A' ' 13' ' ' GLN . . . -77.52 -22.58 50.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.8 -176.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.91 -15.97 57.76 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.885 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.441 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 4.5 mp -70.71 165.57 22.69 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 123.25 0.62 . . . . 0.0 112.365 178.145 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.45 162.96 16.18 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 170.332 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -56.45 -43.67 79.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.435 0.459 . . . . 0.0 112.004 -176.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -57.52 -41.32 80.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.16 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -72.11 -37.08 69.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.132 -177.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.456 HG21 HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -70.28 -43.33 70.67 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.668 -179.231 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -61.5 -42.61 99.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.604 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.17 -33.62 76.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.843 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.498 ' HH2' ' HA ' ' A' ' 18' ' ' GLU . 80.3 t90 -77.77 -46.81 20.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.751 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -59.26 -39.38 82.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.984 0.421 . . . . 0.0 110.118 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -66.57 -26.91 67.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.079 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -36.19 77.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.008 0.432 . . . . 0.0 109.9 177.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.448 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 3.2 mmp_? -77.22 -23.86 51.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.678 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.489 HD12 ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -58.45 -40.02 81.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.185 0.517 . . . . 0.0 109.729 175.343 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.92 -35.12 74.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.814 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.455 ' HG3' ' HG2' ' A' ' 60' ' ' ARG . 1.0 OUTLIER -82.98 -29.44 29.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.379 -178.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.562 ' HD1' ' HG3' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -55.34 -31.81 62.0 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.155 0.502 . . . . 0.0 110.769 -177.128 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 1.0 ' HA ' HD23 ' A' ' 64' ' ' LEU . 27.5 mtp180 -66.23 -30.79 71.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.854 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.455 ' HG2' ' HG3' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -83.61 -29.23 27.91 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.106 -0.238 . . . . 0.0 111.149 179.209 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.418 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -81.21 -51.27 8.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.762 0.315 . . . . 0.0 111.304 -178.187 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.562 ' HG3' ' HD1' ' A' ' 58' ' ' TRP . 5.3 mm-40 -85.36 -19.07 31.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.513 -175.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.13 91.68 1.34 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.51 -0.853 . . . . 0.0 113.027 176.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.0 HD23 ' HA ' ' A' ' 59' ' ' ARG . 3.3 mm? -113.88 157.23 42.45 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 175.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.616 ' HB2' ' HB ' ' A' ' 71' ' ' VAL . 38.5 Cg_exo -62.94 97.87 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.715 2.277 . . . . 0.0 112.743 178.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 m 69.3 147.34 0.06 Allowed 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.603 0.716 . . . . 0.0 112.37 177.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.96 -32.97 7.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.855 179.147 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.8 m -65.82 -61.46 2.05 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.006 0.431 . . . . 0.0 110.053 177.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.77 147.59 22.74 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 175.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.9 m -90.11 83.28 6.04 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.276 0.56 . . . . 0.0 110.395 -178.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.616 ' HB ' ' HB2' ' A' ' 65' ' ' PRO . 1.4 t -94.64 162.34 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.52 177.448 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.7 172.54 10.23 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.638 -175.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.139 -179.672 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.455 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.45 -174.57 3.54 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.759 -177.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.27 -49.87 52.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.354 0.597 . . . . 0.0 109.863 175.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -96.07 94.94 7.84 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.379 176.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.454 ' HB ' ' H ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 43.96 -116.83 0.49 Allowed 'General case' 0 CA--C 1.533 0.308 0 O-C-N 123.776 0.672 . . . . 0.0 110.913 -175.161 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.454 ' H ' ' HB ' ' A' ' 5' ' ' THR . 1.8 t -125.04 42.31 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 172.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.53 47.83 8.13 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.975 -175.1 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 128.36 -130.92 6.75 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.583 -177.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -78.08 172.87 14.79 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 123.164 2.576 . . . . 0.0 112.036 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.47 163.66 27.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.34 178.268 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -36.47 81.92 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.85 -40.52 88.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.353 175.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.46 ' HA ' HD12 ' A' ' 16' ' ' ILE . 4.6 tp-100 -72.49 -39.1 67.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.871 178.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 t -57.92 -34.94 49.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.358 176.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.33 -42.38 98.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.294 177.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 13' ' ' GLN . 26.8 mt -66.22 -47.08 85.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.397 0.618 . . . . 0.0 109.444 178.3 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.606 HD11 HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -58.48 -46.95 85.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.112 178.061 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.45 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 17.1 tp10 -58.18 -43.76 87.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -63.8 -48.83 75.27 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 177.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.42 ' O ' HG12 ' A' ' 24' ' ' VAL . 1.6 m120 -56.44 -59.76 4.51 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.804 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -54.15 -46.38 72.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.288 -174.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -64.61 -44.94 88.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.688 -176.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -92.93 -35.53 13.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.98 0.734 . . . . 0.0 112.98 -170.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.445 HG21 ' CG2' ' A' ' 32' ' ' THR . 5.4 p -68.21 -43.2 84.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -169.019 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 178.71 -17.4 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -175.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm 73.35 -56.39 0.66 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.169 0.588 . . . . 0.0 110.136 -173.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.461 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -72.5 127.61 89.77 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.489 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.788 ' HG3' ' HB3' ' A' ' 51' ' ' PHE . 12.4 Cg_exo -70.45 84.89 0.74 Allowed 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 123.061 2.507 . . . . 0.0 112.539 -178.124 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.24 138.07 64.45 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 176.367 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -58.09 -39.52 84.85 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 123.141 2.561 . . . . 0.0 112.71 -174.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.37 -46.29 90.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.967 0.413 . . . . 0.0 110.494 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.445 ' CG2' HG21 ' A' ' 24' ' ' VAL . 55.0 m -61.89 -46.34 89.81 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.12 176.207 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.0 mt -55.44 -51.31 67.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.126 -172.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.409 ' HA ' ' CG ' ' A' ' 44' ' ' GLU . 12.3 m -62.68 -36.73 83.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.717 0.294 . . . . 0.0 111.567 -177.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 35' ' ' LEU . 14.7 mt -77.23 -50.36 13.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.567 -176.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 37' ' ' ALA . 4.3 pt -72.56 -27.91 26.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.589 -174.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.449 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -61.44 -44.86 96.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.979 0.419 . . . . 0.0 110.156 177.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.97 -39.75 94.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.564 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -64.51 -42.84 95.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.164 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.77 -22.43 50.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.37 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.38 30.74 15.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.793 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.6 tp -123.49 162.49 22.78 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -177.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.6 p -84.82 151.15 24.54 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.334 -0.546 . . . . 0.0 109.934 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.409 ' CG ' ' HA ' ' A' ' 34' ' ' CYS . 36.9 mp0 -55.4 -42.72 74.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.022 -178.241 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -61.4 -43.89 98.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.181 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -65.95 -45.47 81.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.979 0.418 . . . . 0.0 110.367 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.606 HG23 HD11 ' A' ' 17' ' ' LEU . 3.0 m -59.18 -43.79 92.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.425 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -41.34 99.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.638 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -43.64 98.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.982 0.42 . . . . 0.0 110.833 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.602 ' CZ3' ' HG3' ' A' ' 54' ' ' ARG . 69.5 t90 -67.06 -45.75 76.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.463 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.788 ' HB3' ' HG3' ' A' ' 28' ' ' PRO . 2.5 m-85 -56.48 -40.82 75.55 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.178 0.513 . . . . 0.0 110.253 178.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -61.15 -42.26 98.24 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.819 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -32.99 71.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.702 0.287 . . . . 0.0 111.013 -176.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.602 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 0.3 OUTLIER -70.17 -38.23 75.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.739 0.304 . . . . 0.0 110.344 177.364 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 tp -59.67 -41.73 91.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.642 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' ' 60' ' ' ARG . . . -65.15 -45.77 83.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.596 177.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -63.81 -43.49 96.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.867 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -55.5 -43.06 75.28 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.852 -177.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.9 mtm-85 -64.25 -24.47 67.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 26.0 mtm-85 -83.5 -50.22 8.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.35 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -52.74 12.28 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -175.239 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -71.31 -35.3 71.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.987 0.422 . . . . 0.0 109.898 -178.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.06 156.04 27.06 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.277 178.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.796 HD13 ' HD2' ' A' ' 65' ' ' PRO . 0.3 OUTLIER -119.89 134.37 23.95 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.054 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.796 ' HD2' HD13 ' A' ' 64' ' ' LEU . 61.4 Cg_endo -73.46 69.49 4.21 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.539 2.159 . . . . 0.0 111.682 175.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.92 -48.75 57.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.121 -178.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.43 104.86 13.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.626 -178.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.7 m 63.9 -177.87 0.16 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.85 91.51 8.68 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 173.142 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.55 165.23 14.18 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.704 -176.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.4 p -100.16 114.43 38.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 173.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.65 145.02 36.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.014 -174.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.173 -0.918 . . . . 0.0 108.94 176.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.879 0.371 . . . . 0.0 110.579 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -55.68 12.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.047 -179.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.33 22.94 6.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.996 0.427 . . . . 0.0 110.78 -177.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -77.38 128.95 35.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.179 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.21 121.03 17.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.051 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.1 t -132.97 127.06 54.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.163 177.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.94 58.9 2.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.678 0.751 . . . . 0.0 110.614 176.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.462 ' HA2' ' NE2' ' A' ' 46' ' ' GLN . . . 167.33 -147.81 12.27 Favored Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.02 -177.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.64 126.83 13.13 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.831 2.354 . . . . 0.0 111.821 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.12 -172.56 2.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.859 178.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -56.45 -49.74 73.72 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.954 0.407 . . . . 0.0 111.506 -175.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 1.8 t70 -72.25 -32.69 66.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.886 0.374 . . . . 0.0 110.897 -177.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 -70.71 -39.54 73.35 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.343 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.7 t -62.65 -35.69 71.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.871 175.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.7 OUTLIER -58.73 -49.55 77.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.847 177.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.1 mt -64.81 -38.03 81.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 121.434 0.635 . . . . 0.0 110.153 178.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -65.49 -48.07 73.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.079 -179.411 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.552 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.4 OUTLIER -61.03 -38.69 87.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.714 179.692 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.474 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 16.4 t80 -58.12 -40.04 80.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.846 176.077 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -75.23 -48.21 24.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.305 -177.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.591 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 84.7 t80 -56.75 -40.18 75.34 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.736 0.303 . . . . 0.0 111.567 -176.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -82.42 -19.93 38.06 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -178.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 3.7 mmtt -94.09 -36.59 12.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.741 0.305 . . . . 0.0 111.397 -178.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.751 HG11 HG21 ' A' ' 32' ' ' THR . 77.2 t -78.57 -80.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.075 178.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.547 HD22 HG12 ' A' ' 24' ' ' VAL . 0.3 OUTLIER 178.07 165.2 0.72 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -176.663 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 13.5 mttt -88.1 33.22 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -172.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.55 129.7 12.04 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.455 176.155 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -74.52 77.69 2.89 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.444 2.096 . . . . 0.0 112.152 176.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.22 142.51 82.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.505 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -53.04 -39.83 78.47 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.117 2.545 . . . . 0.0 112.871 -177.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.67 -49.37 77.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.042 0.449 . . . . 0.0 111.37 -179.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.751 HG21 HG11 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -70.73 -33.82 71.25 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.244 -178.679 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.535 HD21 ' HG3' ' A' ' 48' ' ' GLN . 2.9 tp -54.75 -51.44 65.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.951 -175.115 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -36.57 83.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.953 0.406 . . . . 0.0 111.037 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 mt -73.95 -50.28 20.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.43 -176.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.556 HG23 HG22 ' A' ' 32' ' ' THR . 7.0 pt -68.22 -30.96 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -175.479 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.62 -46.85 77.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.931 0.396 . . . . 0.0 110.493 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.98 -36.59 78.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 178.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -69.24 -39.86 78.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.398 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.15 -13.64 52.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.772 0.32 . . . . 0.0 111.325 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.51 37.66 46.18 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.395 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -136.47 169.01 18.39 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -177.095 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.575 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 18.0 p -88.9 148.49 23.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.273 0.559 . . . . 0.0 112.309 -172.386 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -48.94 -49.12 41.83 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 114.913 -1.04 . . . . 0.0 113.647 -174.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.575 ' OE2' ' HB ' ' A' ' 43' ' ' THR . 0.1 OUTLIER -53.41 -49.13 67.92 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.426 0.454 . . . . 0.0 111.646 -173.83 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.694 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -67.12 -43.56 82.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.786 -178.179 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.535 HG23 HD11 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -58.48 -50.08 75.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.733 179.532 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.535 ' HG3' HD21 ' A' ' 33' ' ' LEU . 1.8 tt0 -62.17 -47.86 82.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.948 -177.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -63.12 -38.9 92.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.876 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.629 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 84.3 t90 -66.59 -53.57 32.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.07 -178.172 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.479 ' CZ ' HD12 ' A' ' 36' ' ' ILE . 16.3 m-85 -57.97 -37.47 74.24 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.909 0.385 . . . . 0.0 110.502 -177.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -67.42 -42.01 83.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.697 178.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -36.13 83.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.964 -178.138 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.629 ' HG2' ' O ' ' A' ' 50' ' ' TRP . 13.3 mmm180 -70.22 -36.59 74.65 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 110.462 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -37.43 87.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.245 178.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.69 85.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.356 175.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.55 -38.56 91.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.968 178.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.439 ' CE3' ' HG2' ' A' ' 59' ' ' ARG . 2.2 t90 -55.16 -42.5 73.22 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.204 -177.346 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.707 ' HD2' HD12 ' A' ' 64' ' ' LEU . 7.2 mmm180 -62.53 -26.77 68.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.535 -177.098 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.19 -45.51 14.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.259 178.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.7 -44.21 97.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.979 178.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.429 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 1.1 tp10 -64.61 -29.58 70.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.652 178.394 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 64.91 54.51 27.63 Favored Glycine 0 C--N 1.333 0.412 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.786 177.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.707 HD12 ' HD2' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -102.25 127.72 30.05 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-O 120.549 0.214 . . . . 0.0 110.563 -179.589 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 64' ' ' LEU . 4.5 Cg_endo -86.99 -76.43 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 122.9 2.4 . . . . 0.0 111.072 174.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.9 m -157.64 109.58 2.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.506 -0.77 . . . . 0.0 108.965 176.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.33 114.16 1.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.279 0.362 . . . . 0.0 111.514 -177.618 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.7 m 63.79 10.86 5.45 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.323 0.649 . . . . 0.0 112.194 177.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -118.75 -174.32 2.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.443 -177.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.96 116.39 3.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.474 -178.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.4 p -75.42 121.54 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.156 0.503 . . . . 0.0 110.759 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.96 82.31 7.63 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.327 0.584 . . . . 0.0 110.439 178.269 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.6 t0 . . . . . 0 C--O 1.248 1.014 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.131 -178.029 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 p -131.71 -90.06 0.43 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -136.68 -57.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.519 175.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -84.03 88.35 7.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.493 0.663 . . . . 0.0 109.904 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.62 -56.86 0.24 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.882 178.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 p -131.96 111.98 19.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.362 0.601 . . . . 0.0 110.206 176.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.1 m -149.3 144.79 26.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.938 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.2 -174.57 16.93 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.949 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -83.87 142.89 10.29 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 123.108 2.539 . . . . 0.0 112.592 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.434 ' HB ' ' OD1' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -75.46 168.65 19.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.447 177.619 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.461 ' CD ' ' H ' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -59.5 -41.24 89.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.904 0.383 . . . . 0.0 111.146 -176.076 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.434 ' OD1' ' HB ' ' A' ' 10' ' ' THR . 12.8 p-10 -67.02 -35.34 79.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.698 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.595 ' HA ' HD12 ' A' ' 16' ' ' ILE . 8.2 tp-100 -73.49 -39.06 65.16 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.1 t -59.58 -32.56 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.61 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -47.86 83.84 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.831 0.348 . . . . 0.0 110.354 175.249 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 13' ' ' GLN . 12.1 mt -65.7 -39.98 86.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.064 178.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.584 HD11 HG23 ' A' ' 47' ' ' THR . 0.2 OUTLIER -64.85 -50.27 67.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.44 -179.129 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.575 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.8 OUTLIER -64.38 -43.46 94.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.623 -177.792 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.58 -49.43 74.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.072 177.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.582 ' O ' HG23 ' A' ' 24' ' ' VAL . 9.3 m-80 -66.24 -47.8 72.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.011 -177.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.473 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 25.5 t80 -55.06 -46.17 75.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.693 -178.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.538 ' OD1' ' HE3' ' A' ' 26' ' ' LYS . 1.2 m-20 -72.8 -36.84 67.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 -178.19 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -71.75 -40.43 69.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.123 -175.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.675 HG11 HG21 ' A' ' 32' ' ' THR . 86.3 t -68.72 -87.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.904 0.383 . . . . 0.0 111.072 -175.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -158.39 12.32 0.18 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.202 -174.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.538 ' HE3' ' OD1' ' A' ' 22' ' ' ASN . 10.4 mttp 52.97 36.44 21.96 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-O 121.426 0.631 . . . . 0.0 110.724 -174.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.523 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -140.61 131.5 13.78 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.219 -177.14 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.523 ' HD3' ' HA ' ' A' ' 27' ' ' HIS . 6.1 Cg_exo -78.66 68.17 8.2 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 123.03 2.487 . . . . 0.0 112.154 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -77.72 141.41 64.42 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.291 178.882 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 29' ' ' ASP . 41.0 Cg_exo -56.15 -56.33 2.19 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 123.647 2.898 . . . . 0.0 112.769 -176.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -36.34 73.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.763 -177.299 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.675 HG21 HG11 ' A' ' 24' ' ' VAL . 21.4 m -76.34 -42.62 44.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.124 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.589 HD11 ' HA ' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -59.2 -43.12 92.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.391 -177.817 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 96.3 m -56.8 -36.68 70.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.419 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -78.24 -41.29 34.68 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.648 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.529 HD11 HG22 ' A' ' 32' ' ' THR . 69.6 mt -63.25 -43.99 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.777 -178.073 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.27 -35.19 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.046 0.45 . . . . 0.0 110.474 177.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.75 -45.51 51.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.602 177.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -62.94 -46.38 88.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.42 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.35 -23.45 46.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.42 53.18 7.75 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.201 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.619 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -150.42 165.27 33.65 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -178.881 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.491 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 1.4 p -72.47 149.41 44.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.227 0.537 . . . . 0.0 112.109 -172.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -57.72 -46.06 84.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.233 -176.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -48.71 75.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.611 -176.019 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.619 ' HB2' HD11 ' A' ' 42' ' ' LEU . 6.6 mm-40 -59.82 -48.8 80.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.933 0.397 . . . . 0.0 110.375 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.584 HG23 HD11 ' A' ' 17' ' ' LEU . 2.3 m -56.7 -46.34 81.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.251 179.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.589 ' HA ' HD11 ' A' ' 33' ' ' LEU . 1.3 tt0 -65.84 -50.72 63.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.372 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -61.64 -36.82 81.89 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.087 0.47 . . . . 0.0 110.723 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.575 ' HH2' ' HA ' ' A' ' 18' ' ' GLU . 68.6 t90 -68.44 -51.04 48.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.809 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.509 ' CZ ' HD13 ' A' ' 36' ' ' ILE . 5.2 m-85 -57.46 -39.73 76.96 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.397 0.618 . . . . 0.0 110.026 179.01 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -65.65 -34.89 79.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.546 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.473 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -75.0 -30.87 61.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.602 0.239 . . . . 0.0 111.126 -175.852 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.45 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 1.5 mmp_? -72.46 -19.28 61.59 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.202 -177.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 1.5 mt -56.32 -50.18 72.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.122 -179.32 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.14 -35.91 76.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.756 0.312 . . . . 0.0 110.778 177.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 53' ' ' GLN . 34.1 mm-40 -62.53 -50.27 72.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.273 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.766 ' HA ' ' HG2' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -59.77 -44.82 93.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.605 -179.391 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.559 ' HA ' HD23 ' A' ' 64' ' ' LEU . 4.7 mtt180 -57.22 -40.52 77.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.405 -178.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -83.59 -61.61 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.482 ' HB2' ' OE2' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -68.22 -51.41 45.71 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -171.231 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.766 ' HG2' ' HA ' ' A' ' 58' ' ' TRP . 3.6 mm-40 -82.8 -36.46 25.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.35 . . . . 0.0 110.701 -174.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.3 166.35 14.95 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.844 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.61 HD13 ' HD2' ' A' ' 65' ' ' PRO . 0.1 OUTLIER -119.67 137.87 26.06 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 -178.641 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.61 ' HD2' HD13 ' A' ' 64' ' ' LEU . 25.7 Cg_endo -63.04 -10.6 21.22 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.959 2.439 . . . . 0.0 112.35 175.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.4 m 65.76 -160.44 0.27 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.92 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 mp0 -77.4 -19.07 56.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.131 0.491 . . . . 0.0 110.417 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.93 161.16 30.42 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.165 177.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -100.65 89.97 4.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.157 0.503 . . . . 0.0 110.368 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.6 m -138.13 131.7 30.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.203 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -83.41 127.75 39.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.051 0.453 . . . . 0.0 111.538 -174.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.22 144.27 29.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.059 175.194 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.0 t0 . . . . . 0 C--O 1.252 1.236 0 CA-C-O 118.835 -0.603 . . . . 0.0 110.399 -177.207 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 mtp . . . . . 0 N--CA 1.455 -0.214 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.14 -45.88 7.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 166.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -177.78 -168.27 0.17 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.7 175.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.87 90.31 7.85 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 172.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.57 128.19 34.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.301 -177.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.9 t -65.56 123.54 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.247 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.19 106.1 7.61 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.932 -175.589 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -135.58 77.68 0.36 Allowed Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.491 175.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -73.09 128.41 13.02 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.751 2.301 . . . . 0.0 112.09 -177.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.9 165.88 24.09 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.495 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -57.08 -42.43 80.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.717 0.294 . . . . 0.0 111.204 -177.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.31 -43.81 96.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.644 178.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.556 ' HA ' HD12 ' A' ' 16' ' ' ILE . 57.4 mm-40 -69.93 -36.99 75.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.015 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.9 t -62.02 -38.05 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.422 176.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.18 -46.23 88.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 177.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' A' ' 13' ' ' GLN . 21.5 mt -62.59 -36.76 76.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 121.521 0.676 . . . . 0.0 109.687 176.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.681 HD11 HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -68.25 -49.31 61.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.312 -179.146 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.582 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -59.78 -42.67 93.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -178.774 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -62.72 -43.78 97.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.218 176.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -66.2 -52.51 47.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.332 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -54.45 -40.24 68.19 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.87 0.367 . . . . 0.0 110.645 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -71.25 -29.11 64.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.535 -177.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.08 -11.11 20.81 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -175.305 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.446 HG12 ' HB2' ' A' ' 25' ' ' ASN . 15.0 t -78.92 -67.17 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.681 0.277 . . . . 0.0 110.346 178.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.446 ' HB2' HG12 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -178.17 -179.72 0.75 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -174.065 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.503 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -82.66 -18.92 39.33 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.241 -0.584 . . . . 0.0 109.483 172.711 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.01 117.6 13.85 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.97 177.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -68.67 151.29 74.9 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.517 2.145 . . . . 0.0 112.72 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -116.17 154.65 48.65 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.888 177.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.91 -46.95 29.87 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.31 2.673 . . . . 0.0 113.292 -176.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -47.55 84.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.793 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.948 ' HA ' HD23 ' A' ' 35' ' ' LEU . 17.1 m -61.74 -46.41 89.74 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.5 176.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.662 HD21 ' HB2' ' A' ' 48' ' ' GLN . 4.0 tp -55.87 -44.32 78.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.258 -178.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.8 m -68.42 -37.66 80.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.238 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.948 HD23 ' HA ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -77.25 -46.21 23.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.75 0.309 . . . . 0.0 111.795 -176.235 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.616 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 4.6 pt -71.53 -25.44 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 O-C-N 122.26 -0.275 . . . . 0.0 111.244 -175.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.73 -43.79 94.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.103 176.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.9 -35.6 78.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.715 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -68.61 -41.09 80.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.038 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.98 -22.68 42.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.476 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.53 36.8 6.37 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.44 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.5 mt -134.67 174.78 10.19 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.49 173.13 7.1 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 176.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -61.27 -49.27 77.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.799 -175.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -57.04 -49.24 76.44 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.217 0.323 . . . . 0.0 111.474 -176.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -62.8 -45.99 90.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 111.051 -176.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.681 HG23 HD11 ' A' ' 17' ' ' LEU . 3.3 m -66.01 -41.6 90.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.98 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.662 ' HB2' HD21 ' A' ' 33' ' ' LEU . 48.7 tt0 -63.3 -45.63 90.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.376 -178.079 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -38.4 89.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -178.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.582 ' HH2' ' HA ' ' A' ' 18' ' ' GLU . 78.9 t90 -68.64 -47.91 65.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.586 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -60.43 -34.78 74.47 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.89 0.376 . . . . 0.0 110.421 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.481 ' HE2' ' HG2' ' A' ' 48' ' ' GLN . 7.2 mttm -59.66 -41.82 91.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.041 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -33.97 77.28 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.93 -178.181 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.502 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 2.4 mmt180 -73.52 -25.42 60.41 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.995 -177.168 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -56.89 -41.85 78.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.135 0.493 . . . . 0.0 110.487 179.399 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 60' ' ' ARG . . . -73.94 -43.49 58.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.882 177.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.473 ' OE1' ' HD3' ' A' ' 60' ' ' ARG . 0.4 OUTLIER -63.98 -36.27 83.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.236 -177.66 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.588 ' CD1' ' HG3' ' A' ' 62' ' ' GLU . 3.3 t90 -60.84 -48.1 83.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.929 177.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.4 mtm-85 -62.09 -33.17 73.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.996 -178.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 28.6 mtp180 -69.49 -53.61 18.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.244 0.545 . . . . 0.0 110.615 177.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 m -67.39 -38.22 84.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.381 -173.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.588 ' HG3' ' CD1' ' A' ' 58' ' ' TRP . 1.2 mt-10 -77.36 -33.35 55.31 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.17 -0.212 . . . . 0.0 111.479 -176.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.61 64.51 3.79 Favored Glycine 0 CA--C 1.517 0.186 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.848 178.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.86 119.41 77.03 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 -178.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -63.37 -64.66 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.847 2.365 . . . . 0.0 112.035 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 p -130.96 -70.38 0.61 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.624 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.7 -122.01 0.14 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.989 175.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.89 52.91 2.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.499 0.666 . . . . 0.0 109.981 177.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.19 157.37 17.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.716 -179.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 m -57.57 139.92 52.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 123.189 0.306 . . . . 0.0 110.523 176.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.89 140.4 13.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-O 120.933 0.397 . . . . 0.0 110.675 -178.37 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.0 t -115.35 125.04 52.73 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.335 0.588 . . . . 0.0 110.944 -176.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.3 t70 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 117.927 -1.035 . . . . 0.0 109.199 176.1 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.05 0.354 . . . . 0.0 112.552 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.06 172.41 13.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.825 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -56.21 -43.3 78.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.375 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -56.95 -34.21 67.8 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.062 0.458 . . . . 0.0 110.888 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -73.38 -36.15 66.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.83 -177.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.3 t -61.25 -31.77 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.473 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -65.9 -44.73 84.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.562 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 11.8 mt -73.49 -33.91 41.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.074 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.543 HD11 HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -68.95 -44.39 73.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.486 -179.591 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -40.34 94.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.805 0.336 . . . . 0.0 110.979 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.426 ' CE2' ' HE2' ' A' ' 23' ' ' LYS . 88.3 t80 -62.58 -44.85 95.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.676 176.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.585 ' O ' HG22 ' A' ' 24' ' ' VAL . 4.7 m-80 -61.94 -47.26 85.69 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.637 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 54' ' ' ARG . 57.3 t80 -54.35 -42.41 70.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.071 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -82.33 -7.39 59.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.524 -176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.426 ' HE2' ' CE2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -115.44 -28.14 6.95 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -174.272 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 20' ' ' ASN . 4.4 m . . . . . 0 CA--C 1.536 0.405 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.491 -177.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo . . . . . 0 C--O 1.234 0.318 0 CA-C-O 120.967 0.32 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -43.46 95.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.541 0.686 . . . . 0.0 110.51 178.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.474 ' O ' HG12 ' A' ' 36' ' ' ILE . 13.4 m -62.77 -46.26 88.84 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.78 -178.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' A' ' 48' ' ' GLN . 1.1 tp -55.39 -54.08 48.16 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -174.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.9 m -58.59 -44.93 90.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.493 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.68 -47.57 62.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.716 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 32' ' ' THR . 27.7 pt -72.63 -31.13 36.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.236 -176.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.42 96.74 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 120.802 0.334 . . . . 0.0 110.702 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.4 95.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.73 -28.64 60.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.85 -22.58 49.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.805 0.336 . . . . 0.0 110.863 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.98 30.94 7.97 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.995 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 69.3 mt -136.47 -167.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.403 ' H ' ' HG3' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -123.02 173.81 7.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.159 174.03 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.75 -47.1 80.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 0.0 110.869 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.3 -49.33 44.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.944 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.403 ' HG3' ' H ' ' A' ' 43' ' ' THR . 1.7 mt-30 -72.3 -38.2 68.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.0 -177.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.543 HG23 HD11 ' A' ' 17' ' ' LEU . 5.6 m -67.86 -41.52 82.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.885 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.452 ' HB2' HD21 ' A' ' 33' ' ' LEU . 28.9 tp60 -62.48 -46.63 87.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.312 178.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.36 -34.46 73.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.539 -178.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.493 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 72.0 t90 -82.34 -49.42 10.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.981 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.406 ' HD1' ' HA ' ' A' ' 51' ' ' PHE . 0.6 OUTLIER -56.35 -40.24 74.17 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.738 0.304 . . . . 0.0 111.072 -177.485 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -66.18 -31.96 73.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.273 -0.421 . . . . 0.0 112.002 -176.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.454 ' HB2' HE21 ' A' ' 53' ' ' GLN . 0.0 OUTLIER -73.18 -31.35 64.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.374 -178.193 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.426 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -76.99 -25.46 52.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.188 178.234 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.482 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -55.27 -44.5 75.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.753 177.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.48 -46.49 85.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.997 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 . . . . . 0 C--O 1.234 0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.677 -179.44 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo . . . . . 0 N--CA 1.463 -0.321 0 CA-C-O 120.994 0.331 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.23 162.55 29.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.245 -177.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.58 -44.13 56.71 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -174.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -71.29 -33.75 70.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.819 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.536 ' HA ' HD12 ' A' ' 16' ' ' ILE . 28.9 mm100 -73.12 -35.26 66.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.254 177.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.95 -30.95 49.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.324 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -47.63 77.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.152 0.501 . . . . 0.0 110.164 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 13' ' ' GLN . 14.1 mt -63.01 -33.74 62.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.099 176.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.608 HD11 HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -71.68 -49.6 38.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.717 -178.324 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.525 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -58.04 -41.47 83.3 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.873 -178.19 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.455 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 7.7 t80 -65.25 -49.22 70.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.167 177.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.699 ' O ' HG12 ' A' ' 24' ' ' VAL . 3.3 m-80 -62.43 -56.46 17.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.165 -176.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.464 ' CB ' ' HZ3' ' A' ' 50' ' ' TRP . 44.9 t80 -55.01 -33.15 62.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.826 -174.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -76.92 -17.49 58.89 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.703 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 19' ' ' TYR . 2.6 mmmt -117.34 -44.71 2.76 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -171.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 20' ' ' ASN . 6.5 p . . . . . 0 CA--C 1.533 0.309 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -170.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo . . . . . 0 C--O 1.232 0.194 0 N-CA-C 112.665 0.217 . . . . 0.0 112.665 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -50.88 63.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.061 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.515 ' O ' HG12 ' A' ' 36' ' ' ILE . 53.6 m -62.44 -45.71 91.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.465 ' CD1' ' HB ' ' A' ' 47' ' ' THR . 0.8 OUTLIER -57.53 -42.01 82.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.923 -174.007 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 68.2 m -66.82 -41.4 87.58 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.477 HD12 HG23 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -76.37 -42.62 44.05 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.167 -0.613 . . . . 0.0 111.249 -177.805 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 32' ' ' THR . 6.3 pt -67.04 -33.19 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.369 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.429 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -62.71 -45.89 90.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.139 0.495 . . . . 0.0 109.89 176.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.86 -38.78 92.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.926 177.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 35' ' ' LEU . 11.1 mm-40 -59.89 -40.32 88.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.834 177.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.65 -19.69 48.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.324 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.07 25.22 49.73 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.103 -0.57 . . . . 0.0 111.921 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.728 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -127.02 166.8 16.89 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.172 -0.306 . . . . 0.0 110.172 -175.461 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -79.59 156.45 27.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.009 0.433 . . . . 0.0 111.919 -174.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -63.35 -45.77 89.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.694 -170.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -59.69 -44.06 93.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.614 -173.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.728 ' HB2' HD11 ' A' ' 42' ' ' LEU . 2.1 mt-30 -65.76 -34.96 79.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.852 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.608 HG23 HD11 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -65.35 -49.11 70.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.757 0.313 . . . . 0.0 110.784 178.81 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -65.46 -42.23 92.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.04 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -59.87 -42.08 92.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.499 177.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.687 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . 63.7 t90 -69.63 -44.84 69.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -57.88 -31.98 67.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.113 0.483 . . . . 0.0 109.885 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -76.92 -42.24 40.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.228 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.687 ' HG2' ' HA ' ' A' ' 50' ' ' TRP . 0.6 OUTLIER -65.48 -33.46 75.98 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.006 0.431 . . . . 0.0 110.304 -178.734 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.479 ' HG3' ' CH2' ' A' ' 50' ' ' TRP . 7.3 mmt180 -79.81 -25.99 40.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.69 178.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.426 ' HA ' HD12 ' A' ' 55' ' ' LEU . 12.1 tp -62.3 -40.95 97.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.189 0.519 . . . . 0.0 109.78 174.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.21 -39.97 82.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.488 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.997 179.024 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo . . . . . 0 N--CA 1.458 -0.598 0 CA-C-O 121.09 0.371 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.62 170.12 17.01 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.489 178.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' CD ' ' H ' ' A' ' 11' ' ' GLU . 1.8 mp0 -53.02 -46.6 68.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -175.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -71.66 -29.31 64.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.964 0.411 . . . . 0.0 110.489 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.404 ' NE2' ' HG ' ' A' ' 42' ' ' LEU . 18.3 mm100 -73.2 -38.91 65.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.701 177.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.35 -28.57 45.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.226 0.536 . . . . 0.0 109.758 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -61.35 -49.16 78.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.04 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.2 mt -69.35 -33.89 59.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.35 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.642 HD11 HG23 ' A' ' 47' ' ' THR . 0.1 OUTLIER -68.93 -49.68 55.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.591 -177.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.537 ' HG2' ' HZ2' ' A' ' 50' ' ' TRP . 8.5 mm-40 -61.1 -41.3 96.41 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.827 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.482 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -61.99 -39.39 92.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.175 177.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.612 ' O ' HG12 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -70.07 -55.61 9.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.698 -177.034 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.474 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 21.7 t80 -56.6 -33.51 66.31 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.035 0.445 . . . . 0.0 110.685 -177.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -79.87 -12.03 59.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -105.01 -55.04 2.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.665 -175.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.612 HG12 ' O ' ' A' ' 20' ' ' ASN . 1.9 p . . . . . 0 C--N 1.33 -0.258 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -175.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo . . . . . 0 C--O 1.234 0.275 0 CA-C-O 120.977 0.324 . . . . 0.0 111.968 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.59 -41.09 89.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.03 179.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.443 ' O ' HG12 ' A' ' 36' ' ' ILE . 5.8 m -72.99 -45.5 57.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.872 -177.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.426 ' HA ' HD23 ' A' ' 33' ' ' LEU . 13.8 mt -55.13 -62.07 1.9 Allowed 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -170.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.1 m -69.57 -26.88 64.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -174.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.3 mt -77.3 -48.67 16.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.771 0.32 . . . . 0.0 111.273 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.443 HG12 ' O ' ' A' ' 32' ' ' THR . 3.2 pt -74.36 -25.07 19.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.037 -178.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.417 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -61.93 -36.5 81.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.418 176.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.13 -40.71 86.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.605 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.75 -33.4 73.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.06 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.84 -22.64 24.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.726 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.8 35.95 14.86 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.93 -177.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 42' ' ' LEU . 10.1 mt -123.33 -179.42 4.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 -177.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.403 ' OG1' ' HG3' ' A' ' 46' ' ' GLN . 21.0 p -110.35 164.8 12.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.245 177.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.74 -48.75 78.72 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -176.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.42 -49.24 76.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.603 -175.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.403 ' HG3' ' OG1' ' A' ' 43' ' ' THR . 7.1 mt-30 -62.22 -45.55 92.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -177.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.642 HG23 HD11 ' A' ' 17' ' ' LEU . 2.6 m -67.87 -40.16 83.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.437 -177.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' OE1' ' HE2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -64.53 -46.18 83.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.148 -177.853 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -62.89 -41.11 99.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.402 . . . . 0.0 110.717 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.537 ' HZ2' ' HG2' ' A' ' 18' ' ' GLU . 80.2 t90 -65.55 -49.93 67.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.067 -178.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.474 ' CD2' ' HD2' ' A' ' 21' ' ' PHE . 5.2 m-85 -57.56 -43.22 84.33 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.952 0.406 . . . . 0.0 110.287 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.4 ' HE2' ' OE1' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -63.19 -35.14 79.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.246 179.603 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.14 -30.71 69.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.832 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.423 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 1.7 mmp_? -78.76 -26.78 44.57 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.944 0.402 . . . . 0.0 110.012 176.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.25 -31.11 71.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.328 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.83 -33.75 72.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.437 175.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.99 -179.005 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo . . . . . 0 C--O 1.234 0.311 0 CA-C-O 120.952 0.313 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -79.99 174.58 11.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.824 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -45.7 80.7 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.808 0.337 . . . . 0.0 111.509 -176.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -63.63 -36.42 83.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.006 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -72.02 -40.78 68.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.202 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.3 t -60.27 -37.36 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.144 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.29 -51.16 70.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.603 176.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.7 mt -65.26 -40.08 87.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.936 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.1 mt -69.39 -47.86 62.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.55 -177.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.444 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 2.1 mm-40 -56.91 -47.59 80.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 111.083 -177.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.595 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 7.3 t80 -55.62 -41.74 73.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.579 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -73.92 -46.85 41.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.263 -177.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.68 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 41.6 t80 -58.17 -40.32 81.14 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.069 0.461 . . . . 0.0 111.564 -178.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -85.05 -9.04 58.4 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.356 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.595 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -110.24 8.61 23.66 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -177.674 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.452 HG11 HG21 ' A' ' 32' ' ' THR . 1.6 m . . . . . 0 C--N 1.328 -0.359 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo . . . . . 0 C--O 1.235 0.325 0 CA-C-O 121.328 0.47 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -41.74 84.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.837 178.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.452 HG21 HG11 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -61.43 -48.75 79.74 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.971 -178.139 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.4 mt -57.86 -37.8 74.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.0 m -75.59 -52.2 11.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.82 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.662 ' HG ' ' N ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -78.1 -49.43 13.94 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -170.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.662 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -77.24 -25.38 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 120.65 -0.42 . . . . 0.0 112.073 -171.448 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.441 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -63.56 -40.73 97.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.019 0.438 . . . . 0.0 109.928 177.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.17 -28.67 65.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.795 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.67 -36.75 60.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.921 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.31 -10.91 47.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.405 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.25 27.42 66.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.973 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 42' ' ' LEU . 11.1 mt -105.88 146.7 29.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.7 0.286 . . . . 0.0 110.325 -176.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.32 169.96 15.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.979 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.28 -44.17 68.07 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.21 -174.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.52 ' H ' ' HG3' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -64.41 -43.77 93.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.431 -177.542 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -60.6 -50.91 71.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.503 -175.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.82 -47.26 81.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.305 -176.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -63.21 -48.94 76.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.949 0.404 . . . . 0.0 111.064 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 6.2 tptp -59.88 -47.29 86.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.288 -176.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.68 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 89.2 t90 -66.85 -51.85 50.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.322 -177.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -56.06 -44.92 79.36 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.02 0.438 . . . . 0.0 110.481 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.439 ' HA ' HD12 ' A' ' 55' ' ' LEU . 1.7 ttpp -68.75 -32.71 72.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.249 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.47 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -69.47 -37.23 77.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.465 -179.297 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 50' ' ' TRP . 14.0 mmm180 -72.94 -28.9 62.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.616 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 52' ' ' LYS . 11.3 mt -62.34 -36.07 81.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.358 0.599 . . . . 0.0 110.003 176.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.65 -44.49 50.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.072 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.437 ' OE1' ' HD2' ' A' ' 54' ' ' ARG . 86.8 mt-10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.72 -177.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo . . . . . 0 N--CA 1.458 -0.615 0 CA-C-O 120.989 0.329 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -178.36 2.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.393 -178.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -41.38 83.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.78 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -34.66 77.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.479 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.508 HE22 ' HB1' ' A' ' 40' ' ' ALA . 4.0 mm-40 -72.3 -43.17 64.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.804 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.5 t -60.99 -27.93 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.166 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -63.25 -46.5 86.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.145 0.497 . . . . 0.0 110.158 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.0 mt -70.36 -45.82 73.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.05 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.729 HD11 HG23 ' A' ' 47' ' ' THR . 0.2 OUTLIER -60.95 -49.36 77.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.036 -176.331 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.427 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 3.0 tp10 -61.06 -40.28 93.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.594 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -64.07 -49.06 73.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.011 176.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.65 ' O ' HG12 ' A' ' 24' ' ' VAL . 2.5 m120 -54.58 -60.84 2.81 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.317 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.48 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 18.7 t80 -56.48 -44.05 80.22 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.334 0.396 . . . . 0.0 111.467 -174.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -73.98 -20.3 60.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.848 -174.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.2 29.67 6.03 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -173.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.65 HG12 ' O ' ' A' ' 20' ' ' ASN . 2.3 p . . . . . 0 CA--C 1.535 0.401 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 171.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo . . . . . 0 CA--C 1.529 0.258 0 N-CA-C 112.742 0.247 . . . . 0.0 112.742 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -49.18 78.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.769 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.477 ' O ' HG12 ' A' ' 36' ' ' ILE . 27.5 m -62.27 -44.02 97.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.229 178.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.428 HD23 HD11 ' A' ' 36' ' ' ILE . 6.2 mt -62.94 -36.67 84.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.066 -174.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.1 m -68.0 -44.11 77.33 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.458 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -71.85 -37.18 70.29 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.367 -176.762 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 32' ' ' THR . 33.1 pt -71.06 -37.17 66.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.794 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.94 94.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.999 0.428 . . . . 0.0 110.261 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.24 84.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.904 177.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.421 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 2.1 mm-40 -71.56 -40.35 70.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.508 ' HB1' HE22 ' A' ' 13' ' ' GLN . . . -73.09 -22.36 60.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.098 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.25 32.08 40.12 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.696 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.547 ' HG ' ' N ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -131.37 156.92 44.71 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -177.451 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.547 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 4.1 p -72.47 144.17 48.16 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.36 -174.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -51.3 -43.53 61.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.47 -175.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -54.77 -45.81 74.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.469 -177.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -66.8 -41.66 87.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.476 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.729 HG23 HD11 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -61.06 -48.29 82.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.09 0.471 . . . . 0.0 110.647 177.422 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -63.34 -44.37 95.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.858 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -44.76 95.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.733 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.48 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 74.1 t90 -64.21 -47.12 80.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.79 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -59.96 -38.28 82.04 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.028 0.442 . . . . 0.0 110.154 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -30.4 70.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.498 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.414 ' HG2' ' HE ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -68.28 -37.28 80.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.712 0.291 . . . . 0.0 110.452 -179.702 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.414 ' HE ' ' HG2' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -76.82 -18.73 58.22 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.528 -178.162 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -58.99 -33.93 71.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.332 -179.509 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.34 -37.05 63.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.121 0.486 . . . . 0.0 110.691 178.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.96 -177.352 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.828 0.262 . . . . 0.0 112.116 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.26 169.49 18.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.743 177.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.68 -44.24 77.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 110.95 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -35.04 79.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.856 179.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -72.9 -41.45 64.62 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.269 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.27 -34.42 66.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.399 177.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -58.08 -52.04 67.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.399 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.5 mt -63.07 -38.34 81.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.056 0.455 . . . . 0.0 110.254 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -62.72 -49.99 72.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.244 -178.505 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.477 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 2.0 tt0 -68.37 -37.55 80.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.816 -177.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -64.06 -42.53 96.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.682 177.043 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -68.14 -44.9 75.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.682 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.44 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 34.4 t80 -55.05 -44.27 74.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.476 178.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -73.15 -34.32 66.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.226 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -79.18 -40.29 31.22 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -175.332 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.473 HG11 HG21 ' A' ' 32' ' ' THR . 54.9 t . . . . . 0 C--N 1.329 -0.287 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -176.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo . . . . . 0 N--CA 1.465 -0.169 0 CA-C-O 120.611 0.171 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -43.64 89.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.094 0.474 . . . . 0.0 110.617 178.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.574 ' O ' HG12 ' A' ' 36' ' ' ILE . 85.1 m -61.88 -37.21 83.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.355 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.413 HD12 HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -55.23 -46.6 75.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.857 -174.086 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 m -61.15 -47.6 85.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.81 -176.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 32' ' ' THR . 0.3 OUTLIER -73.18 -42.76 62.39 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.735 -174.701 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 32' ' ' THR . 46.7 pt -69.16 -29.28 42.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.139 -178.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.67 -42.32 91.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.992 0.425 . . . . 0.0 110.2 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.34 -34.41 74.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.477 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -70.99 -28.72 64.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.18 0.11 47.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.47 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.91 41.06 99.96 Favored Glycine 0 C--N 1.33 0.222 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.795 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.69 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -141.17 173.04 11.87 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -176.855 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.619 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 7.4 p -88.09 152.3 22.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.841 0.353 . . . . 0.0 111.927 -175.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.79 -46.24 91.28 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.145 -175.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.476 ' HG2' ' N ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -56.64 -38.14 71.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.173 -176.834 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.69 ' HB2' HD11 ' A' ' 42' ' ' LEU . 3.6 mm100 -72.3 -36.16 68.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.586 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.432 HG22 ' CE1' ' A' ' 51' ' ' PHE . 0.2 OUTLIER -64.83 -49.79 69.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.099 0.476 . . . . 0.0 110.178 179.152 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.11 -46.8 89.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.966 -178.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -38.44 89.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.364 -178.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.477 ' HH2' ' HA ' ' A' ' 18' ' ' GLU . 84.5 t90 -74.42 -49.98 20.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.44 ' CE2' ' HA ' ' A' ' 21' ' ' PHE . 10.2 m-85 -57.5 -41.81 81.5 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.035 0.445 . . . . 0.0 110.725 -177.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -31.43 72.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.201 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -33.54 67.12 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.122 -0.231 . . . . 0.0 110.781 -177.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -71.83 -26.54 62.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.752 0.31 . . . . 0.0 110.983 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -54.67 -43.59 72.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.63 -179.064 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.81 -32.59 62.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.522 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.686 -175.544 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo . . . . . 0 C--O 1.235 0.357 0 CA-C-O 121.174 0.406 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.36 -179.31 7.37 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.674 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.98 -50.01 67.51 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -174.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -33.94 75.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.087 0.47 . . . . 0.0 110.578 -177.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -68.85 -40.72 79.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.352 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.9 t -62.92 -37.47 79.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.869 175.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -59.72 -47.86 83.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.354 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.2 mt -63.17 -37.38 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.397 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.15 -50.81 62.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.189 -178.231 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -59.23 -46.41 88.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.717 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -57.68 -47.6 81.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.305 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.549 ' O ' HG12 ' A' ' 24' ' ' VAL . 2.4 m-80 -65.57 -49.29 69.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.338 -176.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.581 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 32.3 t80 -58.37 -43.03 88.24 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.54 0.209 . . . . 0.0 110.538 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -63.58 -27.33 69.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -87.57 -26.99 22.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.638 -177.386 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.82 HG21 HG21 ' A' ' 32' ' ' THR . 6.3 p . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.733 ' HA ' HD12 ' A' ' 33' ' ' LEU . 4.7 Cg_exo . . . . . 0 N--CA 1.461 -0.427 0 CA-C-O 120.818 0.258 . . . . 0.0 112.176 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -49.54 76.72 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -171.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.82 HG21 HG21 ' A' ' 24' ' ' VAL . 2.1 m -69.6 -28.61 66.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.841 0.353 . . . . 0.0 111.562 -177.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 30' ' ' PRO . 37.5 mt -63.24 -41.32 99.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.339 -176.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.5 m -59.67 -49.87 76.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.03 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 32' ' ' THR . 0.8 OUTLIER -67.71 -38.79 84.09 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.144 -176.571 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.585 HD13 ' CZ ' ' A' ' 51' ' ' PHE . 69.1 mt -69.61 -40.22 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.836 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.52 -48.69 80.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.829 0.347 . . . . 0.0 110.465 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.12 99.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.022 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.87 -46.91 87.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.322 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.542 ' HB3' HD23 ' A' ' 42' ' ' LEU . . . -79.54 -13.82 59.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.737 -176.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.91 29.48 60.86 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.998 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.542 HD23 ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -125.32 167.83 14.36 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -178.007 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.61 ' HB ' ' OE1' ' A' ' 45' ' ' GLU . 4.3 p -88.94 142.93 27.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.808 0.337 . . . . 0.0 111.337 -174.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -50.88 -38.74 51.34 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.74 -175.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.61 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 2.0 mp0 -54.14 -48.01 71.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.46 -177.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.528 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 7.5 mt-30 -73.05 -33.4 65.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.828 0.347 . . . . 0.0 110.716 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.409 HG23 HD21 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -66.02 -47.1 75.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.781 179.732 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 52' ' ' LYS . 29.4 tt0 -59.55 -44.43 93.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.834 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -43.67 88.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.908 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.486 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 84.5 t90 -72.66 -49.94 28.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.242 -176.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.585 ' CZ ' HD13 ' A' ' 36' ' ' ILE . 24.4 m-85 -62.98 -27.83 69.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.474 -177.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 3.5 tttp -66.52 -42.13 87.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.058 178.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -69.66 -28.32 65.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.784 -177.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.444 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 2.4 mmp_? -77.55 -36.08 52.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.283 177.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -55.37 -41.56 72.78 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.144 177.422 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.26 -54.65 33.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.796 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.59 -176.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 CA-C-O 121.141 0.392 . . . . 0.0 112.581 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 p -78.76 167.66 20.87 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.241 177.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -56.3 -36.42 68.64 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -174.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -65.78 -38.54 89.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.249 0.547 . . . . 0.0 110.457 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.62 HE22 ' HB1' ' A' ' 40' ' ' ALA . 32.0 tp60 -73.63 -36.51 65.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.113 176.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.472 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 16.5 t -64.7 -28.77 45.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.61 -49.4 62.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.85 177.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mt -68.09 -41.67 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.253 177.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.29 -48.78 79.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.569 -177.858 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -62.39 -38.37 89.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.445 179.878 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -61.71 -47.27 86.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.049 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.439 ' O ' ' HB ' ' A' ' 24' ' ' VAL . 11.7 m120 -58.04 -53.49 57.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.333 177.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.527 ' O ' HG12 ' A' ' 24' ' ' VAL . 39.4 t80 -61.22 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.337 . . . . 0.0 111.204 -177.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.2 m-80 -69.36 -38.34 78.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.717 0.294 . . . . 0.0 111.182 -177.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -83.69 -19.55 35.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.769 -177.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 21' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 CA-C-O 121.2 0.524 . . . . 0.0 110.761 178.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 CA--C 1.527 0.159 0 CA-C-O 121.249 0.437 . . . . 0.0 111.414 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -41.53 95.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.678 176.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.449 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.4 OUTLIER -61.63 -48.06 82.57 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.793 179.338 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.0 mt -55.14 -39.13 69.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.161 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.3 t -68.76 -51.31 42.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.304 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' A' ' 32' ' ' THR . 0.9 OUTLIER -70.83 -35.73 72.59 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -173.543 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 32' ' ' THR . 7.4 pt -76.13 -35.2 27.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.884 -179.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -65.51 -43.06 91.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.429 . . . . 0.0 110.285 178.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.79 -47.46 80.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.84 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -38.46 91.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.468 -178.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.62 ' HB1' HE22 ' A' ' 13' ' ' GLN . . . -81.72 -22.22 37.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.507 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.92 33.85 25.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.585 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.614 HD11 ' HB2' ' A' ' 46' ' ' GLN . 1.1 tp -125.91 153.25 44.49 Favored 'General case' 0 N--CA 1.434 -1.229 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -175.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.452 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -86.79 153.41 21.7 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.623 -0.431 . . . . 0.0 112.064 -175.337 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -51.33 -46.35 62.59 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 114.88 -1.055 . . . . 0.0 112.887 -175.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -55.49 -42.02 73.85 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.346 -176.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.614 ' HB2' HD11 ' A' ' 42' ' ' LEU . 29.9 mt-30 -72.5 -43.62 63.38 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.931 -177.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -48.25 82.28 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.983 0.42 . . . . 0.0 110.78 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -38.0 89.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.188 -177.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -47.13 63.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.704 0.287 . . . . 0.0 110.968 -178.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -64.59 -46.69 81.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.69 -178.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.411 ' HZ ' ' HB2' ' A' ' 20' ' ' ASN . 14.0 m-85 -61.72 -37.9 85.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.34 . . . . 0.0 110.102 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.11 -37.38 87.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.099 178.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -42.21 98.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.02 0.438 . . . . 0.0 109.986 178.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.51 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 5.3 mmt180 -74.57 -31.0 61.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.334 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.53 -38.03 89.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.037 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.26 -46.87 87.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.961 175.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.667 177.418 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.607 ' HB2' ' HB2' ' A' ' 13' ' ' GLN . 56.7 Cg_endo . . . . . 0 C--O 1.235 0.372 0 CA-C-O 120.78 0.242 . . . . 0.0 112.162 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.98 171.43 14.09 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.737 -177.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -53.05 -43.44 66.65 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.514 -176.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -45.62 81.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.778 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.607 ' HB2' ' HB2' ' A' ' 9' ' ' PRO . 28.5 mm100 -72.94 -35.43 66.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.858 -177.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.4 t -56.38 -35.34 43.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.487 178.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -46.19 82.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.443 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.428 HG21 ' HA ' ' A' ' 40' ' ' ALA . 21.5 mt -67.98 -33.84 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.539 0.685 . . . . 0.0 110.463 178.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.602 HD11 HG23 ' A' ' 47' ' ' THR . 0.1 OUTLIER -71.31 -49.23 44.82 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.844 -177.03 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 2.5 mt-10 -59.63 -41.43 90.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.3 -176.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -42.46 96.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 0.0 110.037 177.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -67.5 -51.44 51.07 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.801 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.602 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 32.8 t80 -58.06 -41.37 83.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.567 0.222 . . . . 0.0 110.595 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.6 t-20 -61.17 -41.88 97.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.061 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 3.42 47.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.356 -178.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.326 -0.426 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -176.319 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo . . . . . 0 N--CA 1.459 -0.527 0 N-CA-C 112.647 0.21 . . . . 0.0 112.647 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -50.01 67.95 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -170.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.422 ' O ' HG12 ' A' ' 36' ' ' ILE . 1.7 m -68.77 -28.85 67.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 111.52 -178.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.423 HD21 ' HB2' ' A' ' 48' ' ' GLN . 3.1 tp -67.58 -43.22 81.11 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -172.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -46.64 71.33 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.35 -45.58 31.42 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.488 -175.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.435 HD12 ' CZ ' ' A' ' 51' ' ' PHE . 39.0 pt -67.09 -32.75 59.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.655 -175.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.33 -41.53 89.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.936 0.398 . . . . 0.0 110.207 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.0 -40.7 82.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.586 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.79 -30.11 70.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.45 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.428 ' HA ' HG21 ' A' ' 16' ' ' ILE . . . -85.02 -22.42 29.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.748 0.308 . . . . 0.0 110.703 177.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.93 31.54 59.88 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.18 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.568 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -135.13 165.18 25.99 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 -175.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.452 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 1.1 p -73.35 153.01 40.67 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.415 0.626 . . . . 0.0 112.112 -172.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.4 ' HG2' HD23 ' A' ' 33' ' ' LEU . 6.4 mt-10 -60.19 -43.86 95.54 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.157 -0.929 . . . . 0.0 112.335 -176.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 2.0 mp0 -52.53 -49.45 64.82 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.31 0.381 . . . . 0.0 111.784 -175.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.568 ' HB2' HD11 ' A' ' 42' ' ' LEU . 1.4 mt-30 -67.13 -45.16 77.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.531 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.602 HG23 HD11 ' A' ' 17' ' ' LEU . 2.3 m -59.51 -45.32 92.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.137 178.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.423 ' HB2' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -65.44 -45.53 83.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.062 -178.198 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -63.14 -43.69 97.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.612 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.507 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 77.3 t90 -63.95 -48.46 76.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.193 -179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CD2' ' HD2' ' A' ' 21' ' ' PHE . 13.2 m-85 -64.63 -27.34 68.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.562 -178.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.11 -33.43 56.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.995 0.426 . . . . 0.0 110.344 176.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -63.85 -48.29 77.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.553 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.485 ' HG3' ' CH2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -67.44 -25.29 65.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.455 -179.701 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -38.51 91.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.994 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.4 80.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.466 ' HG3' ' HA ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.492 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.966 0.319 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.53 170.76 15.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.342 178.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -51.24 -44.02 61.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.065 0.459 . . . . 0.0 110.439 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -51.9 -51.62 55.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.12 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.511 ' HA ' HD12 ' A' ' 16' ' ' ILE . 29.7 mm100 -72.71 -35.25 67.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.925 -176.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 t -63.56 -29.42 47.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.387 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -66.7 -44.32 81.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.99 0.424 . . . . 0.0 110.319 177.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 13' ' ' GLN . 12.1 mt -66.23 -33.47 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.681 0.753 . . . . 0.0 109.945 176.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.703 HD11 HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -73.03 -49.02 31.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.56 -179.339 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.64 -44.11 85.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.259 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -40.46 94.84 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 177.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.431 ' O ' HG12 ' A' ' 24' ' ' VAL . 1.0 OUTLIER -70.22 -57.13 5.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.692 -175.203 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.427 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 25.2 t80 -54.96 -37.08 66.03 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -173.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.92 -7.12 58.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.221 -0.299 . . . . 0.0 111.762 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.46 -57.21 2.16 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -176.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.436 HG21 HG23 ' A' ' 32' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.314 0 CA-C-O 120.542 0.21 . . . . 0.0 111.101 -175.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 C--O 1.234 0.305 0 CA-C-O 121.184 0.41 . . . . 0.0 112.275 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -45.38 94.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.616 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.436 HG23 HG21 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -66.22 -49.02 68.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.219 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.627 ' HB3' ' HG2' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -55.84 -52.41 64.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.531 -0.758 . . . . 0.0 112.048 -172.211 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.3 m -60.71 -41.7 95.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.874 0.368 . . . . 0.0 111.728 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 mt -77.91 -50.17 12.75 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -173.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.539 HG13 ' N ' ' A' ' 37' ' ' ALA . 1.4 pt -80.67 -32.92 13.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -171.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.539 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -64.08 -50.35 68.68 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.757 0.313 . . . . 0.0 110.801 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.3 -45.39 88.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.055 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -34.08 75.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.241 -178.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.74 -22.31 60.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.744 0.307 . . . . 0.0 110.75 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.18 23.01 11.78 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.857 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 42' ' ' LEU . 20.9 mt -125.75 -177.5 3.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.0 p -113.94 168.29 9.92 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.19 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.627 ' HG2' ' HB3' ' A' ' 33' ' ' LEU . 1.6 mt-10 -60.21 -45.06 94.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.939 -175.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -63.74 -36.18 83.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.005 -174.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -70.52 -48.57 54.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.059 0.457 . . . . 0.0 110.673 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.703 HG23 HD11 ' A' ' 17' ' ' LEU . 2.6 m -69.6 -36.37 76.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.878 -176.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.87 -45.73 92.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.035 0.445 . . . . 0.0 110.536 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.69 -41.47 95.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.753 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.466 ' CH2' ' HG3' ' A' ' 54' ' ' ARG . 83.2 t90 -66.02 -48.7 70.29 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.419 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.427 ' CD2' ' HD2' ' A' ' 21' ' ' PHE . 3.7 m-85 -55.9 -42.97 76.82 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 120.958 0.409 . . . . 0.0 110.05 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -36.87 85.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.293 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.536 ' HG2' ' HD3' ' A' ' 54' ' ' ARG . 10.0 tt0 -60.9 -46.93 88.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.618 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.536 ' HD3' ' HG2' ' A' ' 53' ' ' GLN . 1.5 mmt85 -73.76 -29.67 62.35 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.9 tp -60.99 -46.89 88.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.843 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.35 96.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.642 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.843 -179.634 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo . . . . . 0 N--CA 1.464 -0.24 0 CA-C-O 120.96 0.317 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.59 -179.5 7.15 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.001 -175.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.49 -40.23 65.2 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -173.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.86 -43.2 98.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.882 0.373 . . . . 0.0 110.97 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -73.3 -36.1 66.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.276 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.4 t -59.36 -31.54 46.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.83 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.81 -43.64 97.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.959 0.409 . . . . 0.0 110.77 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.5 mt -75.88 -39.64 38.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.917 177.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -63.77 -49.75 71.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.588 -176.4 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.464 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.6 OUTLIER -60.58 -39.32 87.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.746 -177.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -65.93 -45.59 81.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.967 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.445 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -61.74 -50.96 70.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.323 -178.626 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.523 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 68.6 t80 -60.19 -37.42 80.17 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.644 0.259 . . . . 0.0 111.11 -178.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -70.9 -27.37 63.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.796 0.332 . . . . 0.0 110.91 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.86 -41.67 14.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.018 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 21' ' ' PHE . 33.8 m . . . . . 0 N--CA 1.467 0.378 0 CA-C-O 121.09 0.472 . . . . 0.0 110.654 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo . . . . . 0 N--CA 1.472 0.215 0 N-CA-C 113.255 0.444 . . . . 0.0 113.255 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -46.95 66.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.636 -178.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.559 HG22 HD13 ' A' ' 36' ' ' ILE . 18.2 m -61.75 -48.95 78.38 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.756 0.312 . . . . 0.0 110.485 176.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.69 HD11 ' HA ' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -58.2 -51.44 69.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.006 -173.823 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.6 m -59.99 -35.09 74.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.93 0.395 . . . . 0.0 111.428 -178.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 35' ' ' LEU . 43.9 mt -77.37 -49.51 14.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.411 -178.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.559 HD13 HG22 ' A' ' 32' ' ' THR . 10.2 pt -68.29 -25.42 31.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.198 -176.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.63 -52.3 66.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.078 0.466 . . . . 0.0 110.491 176.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.69 -36.85 85.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.68 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -36.22 82.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.778 177.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.23 -10.97 59.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.027 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.39 34.84 49.56 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.324 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.838 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -142.69 162.44 35.47 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -177.123 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.447 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -76.5 159.94 29.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.427 0.632 . . . . 0.0 112.401 -173.084 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.33 -49.2 78.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.734 -175.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.6 -43.22 97.67 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -173.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.838 ' HB2' HD11 ' A' ' 42' ' ' LEU . 2.0 mm100 -66.77 -37.89 85.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.875 0.369 . . . . 0.0 110.175 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 m -65.44 -43.0 91.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.549 176.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.69 ' HA ' HD11 ' A' ' 33' ' ' LEU . 3.4 tt0 -62.19 -51.47 67.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.871 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -54.96 -36.24 65.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.756 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.606 ' CH2' ' HG3' ' A' ' 54' ' ' ARG . 81.3 t90 -77.11 -51.18 11.48 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.509 -177.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.473 ' CD2' ' HD1' ' A' ' 21' ' ' PHE . 14.1 m-85 -63.03 -33.33 75.19 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.69 0.281 . . . . 0.0 110.567 -175.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -69.98 -36.46 75.21 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.995 0.426 . . . . 0.0 110.239 176.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -40.98 96.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.848 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.606 ' HG3' ' CH2' ' A' ' 50' ' ' TRP . 7.2 mmm180 -71.43 -26.11 62.6 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 120.753 0.311 . . . . 0.0 110.335 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.0 tp -67.92 -32.47 72.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.135 0.493 . . . . 0.0 110.095 177.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.34 -38.3 63.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.074 174.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.803 177.795 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo . . . . . 0 N--CA 1.461 -0.419 0 CA-C-O 121.194 0.414 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.37 -180.0 6.64 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.812 178.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.62 -46.04 77.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.959 0.409 . . . . 0.0 110.871 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -62.28 -40.56 96.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.747 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.774 ' HG3' HD11 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -71.64 -35.42 70.4 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.974 -177.211 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.8 t -58.31 -31.28 42.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.588 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.73 -47.65 71.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.35 0.595 . . . . 0.0 110.317 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.8 mt -64.43 -34.06 66.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.468 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -71.78 -49.16 41.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.092 -179.788 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -59.54 -48.19 82.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.513 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.1 t80 -54.05 -43.51 70.29 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.982 0.42 . . . . 0.0 110.325 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.526 ' O ' HG12 ' A' ' 24' ' ' VAL . 4.8 m-80 -69.29 -59.35 3.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.895 -178.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.447 ' CB ' ' HZ3' ' A' ' 50' ' ' TRP . 22.5 t80 -55.5 -41.16 72.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.796 -173.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -81.46 -5.79 58.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.707 0.289 . . . . 0.0 111.614 -176.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -104.27 -68.39 0.85 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.358 -178.452 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.72 HG11 HG21 ' A' ' 32' ' ' THR . 1.1 p . . . . . 0 C--O 1.234 0.265 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -172.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo . . . . . 0 C--O 1.232 0.198 0 CA-C-O 120.819 0.258 . . . . 0.0 112.046 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -47.09 85.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.925 179.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.72 HG21 HG11 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -78.44 -45.41 22.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.284 -177.006 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.0 mt -54.48 -62.41 1.67 Allowed 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -168.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.58 -32.1 72.61 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -173.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.573 ' HG ' ' N ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -75.58 -47.72 25.48 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.141 -0.223 . . . . 0.0 110.944 -175.781 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.573 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 1.4 pt -78.45 -25.46 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.082 -176.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.419 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -61.17 -50.39 73.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.721 0.296 . . . . 0.0 110.452 176.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.9 92.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.726 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.91 -39.52 79.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.022 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -90.39 15.41 10.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.047 -176.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 61.71 23.68 63.41 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.756 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.774 HD11 ' HG3' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -107.96 -178.76 3.7 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 122.77 0.428 . . . . 0.0 110.026 -178.499 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.02 164.31 16.32 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 174.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -55.63 -49.21 73.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.823 -175.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -61.04 -45.13 96.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.839 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.483 ' HB3' HD23 ' A' ' 42' ' ' LEU . 32.4 mt-30 -55.29 -53.17 59.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.574 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.479 HG23 HD11 ' A' ' 17' ' ' LEU . 1.6 m -62.86 -44.82 95.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.296 -177.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.33 -43.59 85.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.939 -178.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -63.88 -30.91 71.95 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.616 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 85.1 t90 -79.77 -48.98 12.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.435 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -54.71 -47.85 73.21 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.184 0.516 . . . . 0.0 110.561 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -29.96 69.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.563 -177.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.511 ' NE2' ' HA ' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -75.46 -32.57 60.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.742 -177.51 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' A' ' 50' ' ' TRP . 10.6 mmm180 -80.56 -18.17 49.17 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.665 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -49.09 69.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.018 0.437 . . . . 0.0 110.876 178.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.4 -29.47 68.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.881 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.915 -179.337 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 C--O 1.233 0.252 0 CA-C-O 121.275 0.448 . . . . 0.0 113.011 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.79 168.94 19.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.617 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.22 -49.19 78.8 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -175.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -66.91 -29.81 69.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.161 0.505 . . . . 0.0 110.755 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -72.84 -37.58 67.37 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.008 175.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.5 t -63.76 -30.33 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.823 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -55.39 -43.46 75.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 0.0 110.612 176.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.0 mt -67.02 -36.21 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.997 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.425 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -68.79 -50.2 52.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.991 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.98 -37.93 86.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.9 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.497 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 72.9 t80 -65.67 -44.78 85.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.169 177.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.7 -48.35 72.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.39 -177.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.532 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 60.1 t80 -58.54 -36.64 74.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.978 0.418 . . . . 0.0 110.91 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -85.02 -12.49 53.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.969 0.414 . . . . 0.0 111.027 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 5.7 tmtt? -95.54 -36.65 11.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.172 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.466 0.342 0 CA-C-O 121.029 0.443 . . . . 0.0 110.698 177.751 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo . . . . . 0 N--CA 1.464 -0.252 0 N-CA-C 111.191 -0.349 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -37.09 79.34 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.051 176.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.537 HG22 HD13 ' A' ' 36' ' ' ILE . 17.0 m -61.09 -48.17 82.9 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.018 177.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.5 mt -55.9 -44.7 78.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.86 -177.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.0 m -72.75 -38.18 67.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.19 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.1 -48.01 54.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.803 0.335 . . . . 0.0 111.27 -177.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.537 HD13 HG22 ' A' ' 32' ' ' THR . 5.4 pt -69.27 -25.26 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.918 -178.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.85 -52.93 62.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.868 0.366 . . . . 0.0 110.318 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.89 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.957 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -69.86 -45.31 68.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.012 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.45 -18.46 48.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.609 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.06 29.49 17.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.913 -178.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 42' ' ' LEU . 13.4 mt -115.78 161.01 19.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.704 0.288 . . . . 0.0 110.463 -176.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.26 154.41 40.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.649 173.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -48.89 -45.21 40.84 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.57 172.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 4.4 mm-40 -63.96 -39.92 95.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.286 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -61.68 -49.02 78.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.028 -176.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.407 ' O ' ' HD1' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -67.07 -48.72 67.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.794 -179.647 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -59.14 -47.72 84.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.224 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 4.3 mptt -61.89 -44.61 96.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.781 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.539 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 88.2 t90 -68.35 -52.29 34.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.301 -177.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.408 ' CD2' ' HD2' ' A' ' 21' ' ' PHE . 20.2 m-85 -58.81 -39.4 81.03 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.841 0.353 . . . . 0.0 110.512 -176.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -41.5 97.26 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.624 177.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.6 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -60.8 -43.89 97.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.42 -179.414 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 50' ' ' TRP . 9.6 mmm180 -71.32 -28.33 64.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.987 -177.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 tp -63.08 -44.96 94.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.044 0.45 . . . . 0.0 110.369 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.93 89.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.659 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.6 ' HG3' ' O ' ' A' ' 53' ' ' GLN . 24.1 mt-10 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.754 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo . . . . . 0 N--CA 1.46 -0.49 0 CA-C-O 121.144 0.393 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -77.47 166.99 22.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.346 177.566 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -59.04 -39.3 81.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.854 0.359 . . . . 0.0 110.724 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -35.88 81.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.957 177.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.514 HE22 ' HB1' ' A' ' 40' ' ' ALA . 10.1 tp-100 -73.01 -37.68 66.87 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.863 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 10' ' ' THR . 54.8 t -59.84 -34.46 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.447 177.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -58.3 -40.56 82.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.096 0.474 . . . . 0.0 110.751 176.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.476 HG21 ' HB2' ' A' ' 40' ' ' ALA . 10.2 mt -73.96 -44.55 50.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.113 177.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.565 HD11 HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -64.17 -49.72 70.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.015 -176.195 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.51 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.8 OUTLIER -59.61 -41.04 89.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.352 . . . . 0.0 110.984 -176.672 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.546 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -65.1 -47.73 76.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.865 177.43 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.633 ' O ' HG12 ' A' ' 24' ' ' VAL . 1.5 m-80 -65.0 -54.83 24.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.368 -175.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.46 ' CB ' ' HZ3' ' A' ' 50' ' ' TRP . 36.7 t80 -54.96 -43.25 73.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.811 -173.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.84 -13.11 59.24 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.701 -0.399 . . . . 0.0 111.07 -178.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.546 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 3.8 tmtt? -94.3 -63.41 1.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.748 -176.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.633 HG12 ' O ' ' A' ' 20' ' ' ASN . 1.5 p . . . . . 0 C--O 1.232 0.157 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.174 -173.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.456 -0.701 0 CA-C-O 120.997 0.332 . . . . 0.0 111.376 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -44.25 95.65 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.55 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.519 ' O ' HG12 ' A' ' 36' ' ' ILE . 29.5 m -61.8 -44.9 95.94 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.898 177.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.6 HD22 ' HB ' ' A' ' 47' ' ' THR . 10.9 mt -55.35 -55.41 31.9 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.228 0.33 . . . . 0.0 111.198 -178.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.0 m -61.4 -42.15 98.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.285 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.1 -50.19 62.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.517 -177.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 32' ' ' THR . 20.7 pt -73.92 -27.35 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.526 -176.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -67.48 -40.21 85.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.004 0.43 . . . . 0.0 110.022 176.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.27 94.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.201 175.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.57 -48.66 74.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.523 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.514 ' HB1' HE22 ' A' ' 13' ' ' GLN . . . -81.51 -5.45 57.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.143 -175.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.14 45.32 56.66 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 121.118 -0.563 . . . . 0.0 113.087 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.876 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -146.94 168.85 20.46 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.086 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.553 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 3.2 p -87.07 143.27 27.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.958 0.408 . . . . 0.0 111.598 -175.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -53.21 -41.35 65.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.981 -174.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -44.15 79.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.424 -176.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.876 ' HB2' HD11 ' A' ' 42' ' ' LEU . 4.8 mt-30 -70.22 -35.6 73.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.337 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.6 ' HB ' HD22 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -61.81 -44.52 96.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.184 0.516 . . . . 0.0 110.099 175.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -43.95 91.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.534 177.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -57.83 -43.12 85.61 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.462 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.598 ' CZ3' ' HG3' ' A' ' 54' ' ' ARG . 69.6 t90 -70.52 -47.04 62.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.8 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -56.05 -44.05 78.47 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.201 0.524 . . . . 0.0 110.13 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -40.9 97.37 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.455 -179.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.55 -32.43 73.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.887 0.375 . . . . 0.0 110.568 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.598 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 0.9 OUTLIER -73.67 -35.83 65.27 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.568 179.027 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.1 tp -53.64 -41.1 66.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.568 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.82 -49.33 47.53 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.988 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.412 -177.453 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo . . . . . 0 N--CA 1.456 -0.698 0 CA-C-O 120.755 0.231 . . . . 0.0 112.199 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.483 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -78.15 178.21 7.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.958 0.408 . . . . 0.0 111.357 179.689 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -56.96 -39.1 73.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.983 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -65.73 -36.33 83.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.114 0.483 . . . . 0.0 110.531 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -72.31 -35.72 68.73 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.191 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 10' ' ' THR . 79.0 t -60.66 -36.18 68.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.503 177.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.86 -46.66 84.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.904 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.14 -42.05 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-O 121.01 0.434 . . . . 0.0 110.274 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -61.19 -48.15 82.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.284 179.648 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.526 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 1.0 OUTLIER -59.64 -37.35 78.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.118 -177.832 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.409 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 48.1 t80 -64.14 -49.86 70.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.679 ' O ' HG12 ' A' ' 24' ' ' VAL . 79.5 m-20 -60.8 -57.61 11.94 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.366 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.466 ' HE1' HD23 ' A' ' 55' ' ' LEU . 20.6 t80 -54.8 -40.64 69.7 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.351 0.407 . . . . 0.0 111.581 -173.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -70.18 -33.56 71.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.04 0.447 . . . . 0.0 111.254 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -89.56 -45.79 9.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.19 -172.34 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.705 HG21 HG21 ' A' ' 32' ' ' THR . 6.7 p . . . . . 0 C--N 1.327 -0.378 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -172.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.474 ' HA ' ' HB2' ' A' ' 33' ' ' LEU . 64.8 Cg_exo . . . . . 0 CA--C 1.528 0.204 0 CA-C-O 120.725 0.219 . . . . 0.0 112.14 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -45.76 93.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.105 176.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.705 HG21 HG21 ' A' ' 24' ' ' VAL . 9.7 m -61.71 -43.33 99.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.996 174.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.807 HD21 ' HB2' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -55.76 -45.98 77.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.231 -179.362 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.1 m -56.26 -51.48 67.99 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -177.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.608 HD12 HG23 ' A' ' 36' ' ' ILE . 0.4 OUTLIER -70.47 -39.07 74.48 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.825 -174.154 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.608 HG23 HD12 ' A' ' 35' ' ' LEU . 15.3 pt -74.74 -32.77 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.918 -178.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.41 88.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.757 0.313 . . . . 0.0 110.16 177.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.65 -36.18 81.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.968 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.85 -47.1 69.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.93 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.86 -22.38 49.94 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.917 -176.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.28 0.91 61.15 Favored Glycine 0 N--CA 1.453 -0.177 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -176.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -78.52 177.85 8.22 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.678 -0.761 . . . . 0.0 111.43 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.73 177.92 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.411 174.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -55.98 -50.24 71.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.994 -178.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -63.91 -49.23 73.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.268 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -57.04 -50.23 73.37 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.438 -178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.6 m -61.47 -46.58 89.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.262 -176.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.807 ' HB2' HD21 ' A' ' 33' ' ' LEU . 5.6 tp-100 -66.35 -42.98 87.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.808 0.337 . . . . 0.0 110.623 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.76 -45.72 91.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.663 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.53 ' CH2' ' HG3' ' A' ' 54' ' ' ARG . 78.3 t90 -67.24 -46.36 74.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.005 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.47 -42.74 88.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.388 . . . . 0.0 110.133 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.562 ' HA ' ' HB2' ' A' ' 55' ' ' LEU . 1.5 tptt -70.96 -29.16 65.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 178.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -36.89 82.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.054 177.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.53 ' HG3' ' CH2' ' A' ' 50' ' ' TRP . 1.2 mmt180 -80.03 -24.41 40.77 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.562 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -58.54 -44.66 89.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.782 174.342 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.22 -40.69 96.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.347 175.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.465 ' HG3' ' HA ' ' A' ' 54' ' ' ARG . 4.1 mm-40 . . . . . 0 C--N 1.333 -0.118 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.597 177.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 121.052 0.355 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -74.99 172.03 13.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.968 -178.597 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.29 -49.74 75.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 111.395 -176.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -66.26 -26.76 67.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.07 0.462 . . . . 0.0 110.594 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.587 ' NE2' ' HB1' ' A' ' 40' ' ' ALA . 47.9 tp60 -72.72 -40.08 66.42 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.506 177.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 10' ' ' THR . 62.3 t -65.99 -31.88 55.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.988 178.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -54.24 -35.25 62.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 176.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.4 mt -83.73 -46.58 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-O 121.11 0.481 . . . . 0.0 109.925 177.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -59.01 -45.92 89.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.939 -176.089 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.498 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 1.0 OUTLIER -58.32 -47.2 84.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.096 0.474 . . . . 0.0 110.256 179.339 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.587 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.7 t80 -60.14 -42.56 95.09 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.683 178.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.753 ' O ' HG12 ' A' ' 24' ' ' VAL . 7.9 m120 -58.37 -60.3 4.0 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.692 176.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -57.42 -46.6 83.35 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.263 -171.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -80.65 -11.17 59.68 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.771 -174.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.587 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -95.72 -35.88 11.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.515 0.198 . . . . 0.0 111.439 -179.846 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.88 HG21 HG21 ' A' ' 32' ' ' THR . 1.6 p . . . . . 0 C--N 1.33 -0.262 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.288 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo . . . . . 0 C--O 1.234 0.287 0 CA-C-O 120.904 0.293 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -39.29 92.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.967 178.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.88 HG21 HG21 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -69.03 -47.31 65.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.418 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.3 mt -58.09 -46.05 86.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.295 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.93 -41.62 99.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.838 -176.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -38.07 47.93 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.62 0.248 . . . . 0.0 110.689 -177.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.603 HD12 HG22 ' A' ' 32' ' ' THR . 7.2 mt -71.01 -41.91 76.85 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.096 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.382 -178.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -59.95 -39.94 87.29 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 175.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.45 -49.11 74.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.624 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -61.99 -48.01 82.25 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.587 ' HB1' ' NE2' ' A' ' 13' ' ' GLN . . . -77.52 -22.58 50.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.8 -176.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.91 -15.97 57.76 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.885 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.441 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 4.5 mp -70.71 165.57 22.69 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 123.25 0.62 . . . . 0.0 112.365 178.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.45 162.96 16.18 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 170.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -56.45 -43.67 79.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.435 0.459 . . . . 0.0 112.004 -176.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -57.52 -41.32 80.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.16 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -72.11 -37.08 69.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.132 -177.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.456 HG21 HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -70.28 -43.33 70.67 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.668 -179.231 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -61.5 -42.61 99.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.604 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.17 -33.62 76.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.843 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.498 ' HH2' ' HA ' ' A' ' 18' ' ' GLU . 80.3 t90 -77.77 -46.81 20.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.751 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -59.26 -39.38 82.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.984 0.421 . . . . 0.0 110.118 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -66.57 -26.91 67.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.079 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -36.19 77.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.008 0.432 . . . . 0.0 109.9 177.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.448 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 3.2 mmp_? -77.22 -23.86 51.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.678 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -40.02 81.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.185 0.517 . . . . 0.0 109.729 175.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.92 -35.12 74.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.814 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.379 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo . . . . . 0 N--CA 1.461 -0.426 0 CA-C-O 120.855 0.273 . . . . 0.0 112.036 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.47 163.66 27.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.34 178.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -36.47 81.92 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.85 -40.52 88.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.353 175.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.46 ' HA ' HD12 ' A' ' 16' ' ' ILE . 4.6 tp-100 -72.49 -39.1 67.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.871 178.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 t -57.92 -34.94 49.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.358 176.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.33 -42.38 98.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.294 177.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 13' ' ' GLN . 26.8 mt -66.22 -47.08 85.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.397 0.618 . . . . 0.0 109.444 178.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.606 HD11 HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -58.48 -46.95 85.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.112 178.061 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.45 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 17.1 tp10 -58.18 -43.76 87.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -63.8 -48.83 75.27 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 177.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.42 ' O ' HG12 ' A' ' 24' ' ' VAL . 1.6 m120 -56.44 -59.76 4.51 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.804 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -54.15 -46.38 72.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.288 -174.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -64.61 -44.94 88.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.688 -176.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -92.93 -35.53 13.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.98 0.734 . . . . 0.0 112.98 -170.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.445 HG21 ' CG2' ' A' ' 32' ' ' THR . 5.4 p . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -169.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo . . . . . 0 N--CA 1.466 -0.145 0 N-CA-C 112.71 0.235 . . . . 0.0 112.71 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.37 -46.29 90.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.967 0.413 . . . . 0.0 110.494 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.445 ' CG2' HG21 ' A' ' 24' ' ' VAL . 55.0 m -61.89 -46.34 89.81 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.12 176.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.0 mt -55.44 -51.31 67.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.126 -172.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.409 ' HA ' ' CG ' ' A' ' 44' ' ' GLU . 12.3 m -62.68 -36.73 83.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.717 0.294 . . . . 0.0 111.567 -177.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 35' ' ' LEU . 14.7 mt -77.23 -50.36 13.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.567 -176.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 37' ' ' ALA . 4.3 pt -72.56 -27.91 26.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.589 -174.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.449 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -61.44 -44.86 96.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.979 0.419 . . . . 0.0 110.156 177.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.97 -39.75 94.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.564 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -64.51 -42.84 95.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.164 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.77 -22.43 50.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.37 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.38 30.74 15.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.793 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.6 tp -123.49 162.49 22.78 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -177.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.6 p -84.82 151.15 24.54 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.334 -0.546 . . . . 0.0 109.934 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.409 ' CG ' ' HA ' ' A' ' 34' ' ' CYS . 36.9 mp0 -55.4 -42.72 74.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.022 -178.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -61.4 -43.89 98.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.181 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -65.95 -45.47 81.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.979 0.418 . . . . 0.0 110.367 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.606 HG23 HD11 ' A' ' 17' ' ' LEU . 3.0 m -59.18 -43.79 92.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.425 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -41.34 99.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.638 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -43.64 98.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.982 0.42 . . . . 0.0 110.833 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.602 ' CZ3' ' HG3' ' A' ' 54' ' ' ARG . 69.5 t90 -67.06 -45.75 76.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.463 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -56.48 -40.82 75.55 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.178 0.513 . . . . 0.0 110.253 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -61.15 -42.26 98.24 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.819 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -32.99 71.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.702 0.287 . . . . 0.0 111.013 -176.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.602 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 0.3 OUTLIER -70.17 -38.23 75.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.739 0.304 . . . . 0.0 110.344 177.364 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 tp -59.67 -41.73 91.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.642 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.15 -45.77 83.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.596 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.867 179.794 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo . . . . . 0 N--CA 1.461 -0.39 0 CA-C-O 120.673 0.197 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.12 -172.56 2.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.859 178.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -56.45 -49.74 73.72 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.954 0.407 . . . . 0.0 111.506 -175.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 1.8 t70 -72.25 -32.69 66.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.886 0.374 . . . . 0.0 110.897 -177.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 -70.71 -39.54 73.35 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.343 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.7 t -62.65 -35.69 71.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.871 175.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.7 OUTLIER -58.73 -49.55 77.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.847 177.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.1 mt -64.81 -38.03 81.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 121.434 0.635 . . . . 0.0 110.153 178.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -65.49 -48.07 73.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.079 -179.411 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.552 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.4 OUTLIER -61.03 -38.69 87.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.714 179.692 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.474 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 16.4 t80 -58.12 -40.04 80.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.846 176.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -75.23 -48.21 24.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.305 -177.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.591 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 84.7 t80 -56.75 -40.18 75.34 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.736 0.303 . . . . 0.0 111.567 -176.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -82.42 -19.93 38.06 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -178.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 3.7 mmtt -94.09 -36.59 12.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.741 0.305 . . . . 0.0 111.397 -178.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.751 HG11 HG21 ' A' ' 32' ' ' THR . 77.2 t . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.075 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo . . . . . 0 C--O 1.231 0.148 0 N-CA-C 112.871 0.297 . . . . 0.0 112.871 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.67 -49.37 77.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.042 0.449 . . . . 0.0 111.37 -179.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.751 HG21 HG11 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -70.73 -33.82 71.25 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.244 -178.679 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.535 HD21 ' HG3' ' A' ' 48' ' ' GLN . 2.9 tp -54.75 -51.44 65.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.951 -175.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -36.57 83.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.953 0.406 . . . . 0.0 111.037 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 mt -73.95 -50.28 20.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.43 -176.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.556 HG23 HG22 ' A' ' 32' ' ' THR . 7.0 pt -68.22 -30.96 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -175.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.62 -46.85 77.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.931 0.396 . . . . 0.0 110.493 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.98 -36.59 78.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 178.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -69.24 -39.86 78.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.398 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.15 -13.64 52.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.772 0.32 . . . . 0.0 111.325 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.51 37.66 46.18 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.395 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -136.47 169.01 18.39 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -177.095 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.575 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 18.0 p -88.9 148.49 23.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.273 0.559 . . . . 0.0 112.309 -172.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -48.94 -49.12 41.83 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 114.913 -1.04 . . . . 0.0 113.647 -174.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.575 ' OE2' ' HB ' ' A' ' 43' ' ' THR . 0.1 OUTLIER -53.41 -49.13 67.92 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.426 0.454 . . . . 0.0 111.646 -173.83 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.694 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -67.12 -43.56 82.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.786 -178.179 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.535 HG23 HD11 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -58.48 -50.08 75.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.733 179.532 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.535 ' HG3' HD21 ' A' ' 33' ' ' LEU . 1.8 tt0 -62.17 -47.86 82.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.948 -177.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -63.12 -38.9 92.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.876 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.629 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 84.3 t90 -66.59 -53.57 32.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.07 -178.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.479 ' CZ ' HD12 ' A' ' 36' ' ' ILE . 16.3 m-85 -57.97 -37.47 74.24 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.909 0.385 . . . . 0.0 110.502 -177.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -67.42 -42.01 83.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.697 178.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -36.13 83.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.964 -178.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.629 ' HG2' ' O ' ' A' ' 50' ' ' TRP . 13.3 mmm180 -70.22 -36.59 74.65 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 110.462 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -37.43 87.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.245 178.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.69 85.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.356 175.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.968 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.458 -0.559 0 CA-C-O 121.132 0.388 . . . . 0.0 112.592 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.434 ' HB ' ' OD1' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -75.46 168.65 19.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.447 177.619 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.461 ' CD ' ' H ' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -59.5 -41.24 89.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.904 0.383 . . . . 0.0 111.146 -176.076 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.434 ' OD1' ' HB ' ' A' ' 10' ' ' THR . 12.8 p-10 -67.02 -35.34 79.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.698 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.595 ' HA ' HD12 ' A' ' 16' ' ' ILE . 8.2 tp-100 -73.49 -39.06 65.16 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.1 t -59.58 -32.56 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.61 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -47.86 83.84 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.831 0.348 . . . . 0.0 110.354 175.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 13' ' ' GLN . 12.1 mt -65.7 -39.98 86.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.064 178.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.584 HD11 HG23 ' A' ' 47' ' ' THR . 0.2 OUTLIER -64.85 -50.27 67.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.44 -179.129 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.575 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.8 OUTLIER -64.38 -43.46 94.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.623 -177.792 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.58 -49.43 74.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.072 177.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.582 ' O ' HG23 ' A' ' 24' ' ' VAL . 9.3 m-80 -66.24 -47.8 72.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.011 -177.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.473 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 25.5 t80 -55.06 -46.17 75.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.693 -178.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -72.8 -36.84 67.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 -178.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -71.75 -40.43 69.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.123 -175.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.675 HG11 HG21 ' A' ' 32' ' ' THR . 86.3 t . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.904 0.383 . . . . 0.0 111.072 -175.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo . . . . . 0 C--O 1.234 0.293 0 CA-C-O 120.991 0.33 . . . . 0.0 112.769 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -36.34 73.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.763 -177.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.675 HG21 HG11 ' A' ' 24' ' ' VAL . 21.4 m -76.34 -42.62 44.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.124 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.589 HD11 ' HA ' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -59.2 -43.12 92.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.391 -177.817 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 96.3 m -56.8 -36.68 70.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.419 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -78.24 -41.29 34.68 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.648 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.529 HD11 HG22 ' A' ' 32' ' ' THR . 69.6 mt -63.25 -43.99 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.777 -178.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.27 -35.19 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.046 0.45 . . . . 0.0 110.474 177.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.75 -45.51 51.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.602 177.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -62.94 -46.38 88.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.42 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.35 -23.45 46.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.42 53.18 7.75 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.201 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.619 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -150.42 165.27 33.65 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -178.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.491 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 1.4 p -72.47 149.41 44.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.227 0.537 . . . . 0.0 112.109 -172.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -57.72 -46.06 84.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.233 -176.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -48.71 75.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.611 -176.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.619 ' HB2' HD11 ' A' ' 42' ' ' LEU . 6.6 mm-40 -59.82 -48.8 80.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.933 0.397 . . . . 0.0 110.375 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.584 HG23 HD11 ' A' ' 17' ' ' LEU . 2.3 m -56.7 -46.34 81.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.251 179.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.589 ' HA ' HD11 ' A' ' 33' ' ' LEU . 1.3 tt0 -65.84 -50.72 63.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.372 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -61.64 -36.82 81.89 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.087 0.47 . . . . 0.0 110.723 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.575 ' HH2' ' HA ' ' A' ' 18' ' ' GLU . 68.6 t90 -68.44 -51.04 48.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.809 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.509 ' CZ ' HD13 ' A' ' 36' ' ' ILE . 5.2 m-85 -57.46 -39.73 76.96 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.397 0.618 . . . . 0.0 110.026 179.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -65.65 -34.89 79.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.546 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.473 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -75.0 -30.87 61.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.602 0.239 . . . . 0.0 111.126 -175.852 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.45 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 1.5 mmp_? -72.46 -19.28 61.59 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.202 -177.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.32 -50.18 72.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.122 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.14 -35.91 76.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.756 0.312 . . . . 0.0 110.778 177.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 53' ' ' GLN . 34.1 mm-40 . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.273 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo . . . . . 0 N--CA 1.461 -0.418 0 CA-C-O 120.723 0.218 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.9 165.88 24.09 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.495 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -57.08 -42.43 80.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.717 0.294 . . . . 0.0 111.204 -177.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.31 -43.81 96.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.644 178.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.556 ' HA ' HD12 ' A' ' 16' ' ' ILE . 4.5 mm100 -69.93 -36.99 75.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.015 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.9 t -62.02 -38.05 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.422 176.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.18 -46.23 88.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 177.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' A' ' 13' ' ' GLN . 21.5 mt -62.59 -36.76 76.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 121.521 0.676 . . . . 0.0 109.687 176.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.681 HD11 HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -68.25 -49.31 61.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.312 -179.146 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.582 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -59.78 -42.67 93.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -178.774 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -62.72 -43.78 97.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.218 176.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -66.2 -52.51 47.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.332 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -54.45 -40.24 68.19 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.87 0.367 . . . . 0.0 110.645 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -71.25 -29.11 64.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.535 -177.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.08 -11.11 20.81 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -175.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.326 -0.427 0 CA-C-O 120.681 0.277 . . . . 0.0 110.346 178.23 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 N--CA 1.474 0.335 0 N-CA-C 113.292 0.458 . . . . 0.0 113.292 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -47.55 84.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.793 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.948 ' HA ' HD23 ' A' ' 35' ' ' LEU . 17.1 m -61.74 -46.41 89.74 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.5 176.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.662 HD21 ' HB2' ' A' ' 48' ' ' GLN . 4.0 tp -55.87 -44.32 78.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.258 -178.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.8 m -68.42 -37.66 80.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.238 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.948 HD23 ' HA ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -77.25 -46.21 23.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.75 0.309 . . . . 0.0 111.795 -176.235 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.616 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 4.6 pt -71.53 -25.44 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 O-C-N 122.26 -0.275 . . . . 0.0 111.244 -175.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.73 -43.79 94.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.103 176.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.9 -35.6 78.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.715 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -68.61 -41.09 80.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.038 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.98 -22.68 42.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.476 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.53 36.8 6.37 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.44 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.5 mt -134.67 174.78 10.19 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.49 173.13 7.1 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 176.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -61.27 -49.27 77.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.799 -175.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -57.04 -49.24 76.44 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.217 0.323 . . . . 0.0 111.474 -176.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -62.8 -45.99 90.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 111.051 -176.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.681 HG23 HD11 ' A' ' 17' ' ' LEU . 3.3 m -66.01 -41.6 90.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.98 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.662 ' HB2' HD21 ' A' ' 33' ' ' LEU . 7.1 tt0 -63.3 -45.63 90.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.376 -178.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -38.4 89.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -178.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.582 ' HH2' ' HA ' ' A' ' 18' ' ' GLU . 78.9 t90 -68.64 -47.91 65.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.586 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -60.43 -34.78 74.47 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.89 0.376 . . . . 0.0 110.421 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.481 ' HE2' ' HG2' ' A' ' 48' ' ' GLN . 7.2 mttm -59.66 -41.82 91.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.041 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -33.97 77.28 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.93 -178.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.502 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 2.4 mmt180 -73.52 -25.42 60.41 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.995 -177.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -56.89 -41.85 78.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.135 0.493 . . . . 0.0 110.487 179.399 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.94 -43.49 58.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.882 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.236 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 tpp . . . . . 0 C--O 1.235 0.302 0 N-CA-C 110.595 -0.15 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m 58.65 41.51 21.96 Favored 'General case' 0 C--N 1.332 -0.169 0 O-C-N 123.629 0.581 . . . . 0.0 110.85 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.23 59.57 4.95 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.403 -177.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.87 176.48 10.11 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.371 -178.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.597 HG22 ' HA ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -84.59 67.34 9.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.025 0.441 . . . . 0.0 110.929 -178.829 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -81.26 128.31 38.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.741 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 m 74.23 -47.84 0.65 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.641 0.777 . . . . 0.0 112.403 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -151.49 177.25 29.53 Favored Glycine 0 C--N 1.316 -0.577 0 C-N-CA 121.203 -0.522 . . . . 0.0 112.008 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.597 ' HA ' HG22 ' A' ' 5' ' ' THR . 57.0 Cg_endo -70.21 151.23 66.4 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.69 2.26 . . . . 0.0 112.552 -177.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.06 172.41 13.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.825 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -56.21 -43.3 78.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.375 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -56.95 -34.21 67.8 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.062 0.458 . . . . 0.0 110.888 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -73.38 -36.15 66.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.83 -177.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.3 t -61.25 -31.77 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.473 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -65.9 -44.73 84.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.562 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 11.8 mt -73.49 -33.91 41.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.074 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.543 HD11 HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -68.95 -44.39 73.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.486 -179.591 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -40.34 94.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.805 0.336 . . . . 0.0 110.979 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.426 ' CE2' ' HE2' ' A' ' 23' ' ' LYS . 88.3 t80 -62.58 -44.85 95.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.676 176.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.585 ' O ' HG22 ' A' ' 24' ' ' VAL . 4.7 m-80 -61.94 -47.26 85.69 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.637 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 54' ' ' ARG . 57.3 t80 -54.35 -42.41 70.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.071 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -82.33 -7.39 59.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.524 -176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' HE2' ' CE2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -115.44 -28.14 6.95 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -174.272 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.808 HG23 ' H ' ' A' ' 25' ' ' ASN . 4.4 m -68.0 -75.72 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.491 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.808 ' H ' HG23 ' A' ' 24' ' ' VAL . 6.5 p30 -177.82 15.24 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 122.643 0.377 . . . . 0.0 110.348 -178.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.38 18.98 9.81 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.507 178.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -141.7 142.91 27.2 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 122.327 -0.233 . . . . 0.0 110.694 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -62.94 118.51 5.41 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.401 2.067 . . . . 0.0 111.854 174.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.617 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 0.5 OUTLIER -119.65 150.98 51.27 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.997 -175.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -77.77 -59.9 0.04 OUTLIER 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.329 2.686 . . . . 0.0 112.415 -174.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -43.46 95.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.541 0.686 . . . . 0.0 110.51 178.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.617 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 13.4 m -62.77 -46.26 88.84 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.78 -178.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.598 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 1.1 tp -55.39 -54.08 48.16 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -174.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.9 m -58.59 -44.93 90.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.493 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.68 -47.57 62.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.716 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 32' ' ' THR . 27.7 pt -72.63 -31.13 36.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.236 -176.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.42 96.74 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 120.802 0.334 . . . . 0.0 110.702 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.4 95.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.73 -28.64 60.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.85 -22.58 49.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.805 0.336 . . . . 0.0 110.863 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.98 30.94 7.97 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.995 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 69.3 mt -136.47 -167.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.403 ' H ' ' HG3' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -123.02 173.81 7.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.159 174.03 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.75 -47.1 80.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 0.0 110.869 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.3 -49.33 44.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.944 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.403 ' HG3' ' H ' ' A' ' 43' ' ' THR . 1.7 mt-30 -72.3 -38.2 68.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.0 -177.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.543 HG23 HD11 ' A' ' 17' ' ' LEU . 5.6 m -67.86 -41.52 82.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.885 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.452 ' HB2' HD21 ' A' ' 33' ' ' LEU . 28.9 tp60 -62.48 -46.63 87.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.312 178.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.36 -34.46 73.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.539 -178.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.493 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 72.0 t90 -82.34 -49.42 10.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.981 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.406 ' HD1' ' HA ' ' A' ' 51' ' ' PHE . 0.6 OUTLIER -56.35 -40.24 74.17 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.738 0.304 . . . . 0.0 111.072 -177.485 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -66.18 -31.96 73.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.273 -0.421 . . . . 0.0 112.002 -176.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.454 HE21 ' HB2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -73.18 -31.35 64.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.374 -178.193 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.426 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -76.99 -25.46 52.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.188 178.234 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.482 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -55.27 -44.5 75.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.753 177.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' A' ' 60' ' ' ARG . . . -63.48 -46.49 85.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.997 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -65.39 -39.36 92.14 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.677 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -57.48 -45.57 84.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.35 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -65.04 -34.75 79.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.377 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 29.0 mtm180 -70.39 -51.32 30.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.055 0.455 . . . . 0.0 111.213 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.61 -52.11 42.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.119 -175.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.556 ' HB2' HD11 ' A' ' 64' ' ' LEU . 2.1 mt-10 -81.01 -17.06 51.59 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.144 -0.222 . . . . 0.0 111.504 -174.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.87 77.99 0.27 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.669 177.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.556 HD11 ' HB2' ' A' ' 62' ' ' GLU . 2.2 mp -118.92 122.69 29.51 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 122.696 -0.297 . . . . 0.0 110.809 -178.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -74.02 82.5 1.77 Allowed 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.736 2.291 . . . . 0.0 111.471 175.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 66.56 -132.44 0.17 Allowed 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.859 -177.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -101.17 -63.03 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.364 0.602 . . . . 0.0 110.867 -177.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 170.37 16.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.54 -176.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.17 99.26 5.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.857 176.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.9 m -136.08 131.07 34.37 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.141 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.1 m -82.5 107.95 14.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.63 105.81 11.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.171 176.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.645 -0.693 . . . . 0.0 110.376 -177.647 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.445 0 CA-C-O 121.092 0.472 . . . . 0.0 111.584 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -51.44 19.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.805 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -166.59 162.57 16.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.462 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -103.74 105.2 15.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.933 175.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.57 35.74 0.89 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.45 0.643 . . . . 0.0 110.693 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 t -115.69 112.67 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.005 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.23 -17.91 41.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.158 0.504 . . . . 0.0 110.583 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.12 -157.54 32.08 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.241 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.97 117.58 4.77 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.319 2.013 . . . . 0.0 111.287 176.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.23 162.55 29.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.245 -177.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.58 -44.13 56.71 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -174.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -71.29 -33.75 70.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.819 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.536 ' HA ' HD12 ' A' ' 16' ' ' ILE . 28.9 mm100 -73.12 -35.26 66.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.254 177.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.95 -30.95 49.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.324 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -47.63 77.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.152 0.501 . . . . 0.0 110.164 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 13' ' ' GLN . 14.1 mt -63.01 -33.74 62.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.099 176.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.608 HD11 HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -71.68 -49.6 38.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.717 -178.324 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.525 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -58.04 -41.47 83.3 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.873 -178.19 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.455 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 7.7 t80 -65.25 -49.22 70.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.167 177.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.699 ' O ' HG12 ' A' ' 24' ' ' VAL . 3.3 m-80 -62.43 -56.46 17.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.165 -176.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.464 ' CB ' ' HZ3' ' A' ' 50' ' ' TRP . 44.9 t80 -55.01 -33.15 62.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.826 -174.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -76.92 -17.49 58.89 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.703 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 19' ' ' TYR . 2.6 mmmt -117.34 -44.71 2.76 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -171.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 20' ' ' ASN . 6.5 p -72.42 -60.21 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -170.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.464 ' N ' HG13 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -155.29 137.0 14.33 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.222 -0.299 . . . . 0.0 110.813 -174.265 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -92.08 4.87 52.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.336 0.588 . . . . 0.0 110.481 177.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -140.51 117.39 7.91 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.61 174.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.465 ' HG2' ' HD2' ' A' ' 52' ' ' LYS . 32.1 Cg_exo -58.96 121.17 9.51 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.948 2.432 . . . . 0.0 112.548 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.62 145.05 41.97 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 175.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -53.69 -41.13 76.54 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.293 2.662 . . . . 0.0 112.665 -176.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -50.88 63.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.061 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.515 ' O ' HG12 ' A' ' 36' ' ' ILE . 53.6 m -62.44 -45.71 91.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.465 ' CD1' ' HB ' ' A' ' 47' ' ' THR . 0.8 OUTLIER -57.53 -42.01 82.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.923 -174.007 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 68.2 m -66.82 -41.4 87.58 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.477 HD12 HG23 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -76.37 -42.62 44.05 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.167 -0.613 . . . . 0.0 111.249 -177.805 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 32' ' ' THR . 6.3 pt -67.04 -33.19 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.369 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.429 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -62.71 -45.89 90.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.139 0.495 . . . . 0.0 109.89 176.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.86 -38.78 92.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.926 177.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 35' ' ' LEU . 11.1 mm-40 -59.89 -40.32 88.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.834 177.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.65 -19.69 48.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.324 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.07 25.22 49.73 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.103 -0.57 . . . . 0.0 111.921 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.728 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -127.02 166.8 16.89 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.172 -0.306 . . . . 0.0 110.172 -175.461 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -79.59 156.45 27.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.009 0.433 . . . . 0.0 111.919 -174.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -63.35 -45.77 89.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.694 -170.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -59.69 -44.06 93.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.614 -173.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.728 ' HB2' HD11 ' A' ' 42' ' ' LEU . 2.1 mt-30 -65.76 -34.96 79.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.852 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.608 HG23 HD11 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -65.35 -49.11 70.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.757 0.313 . . . . 0.0 110.784 178.81 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -65.46 -42.23 92.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.04 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -59.87 -42.08 92.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.499 177.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.687 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . 63.7 t90 -69.63 -44.84 69.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -57.88 -31.98 67.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.113 0.483 . . . . 0.0 109.885 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.465 ' HD2' ' HG2' ' A' ' 28' ' ' PRO . 1.5 mptm? -76.92 -42.24 40.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.228 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.687 ' HG2' ' HA ' ' A' ' 50' ' ' TRP . 0.6 OUTLIER -65.48 -33.46 75.98 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.006 0.431 . . . . 0.0 110.304 -178.734 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.479 ' HG3' ' CH2' ' A' ' 50' ' ' TRP . 7.3 mmt180 -79.81 -25.99 40.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.69 178.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.426 ' HA ' HD12 ' A' ' 55' ' ' LEU . 12.1 tp -62.3 -40.95 97.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.189 0.519 . . . . 0.0 109.78 174.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.21 -39.97 82.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.488 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -66.69 -39.66 88.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.997 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.453 ' CD1' ' HB2' ' A' ' 62' ' ' GLU . 2.1 t90 -55.9 -39.79 72.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.695 -179.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.6 mtm105 -65.98 -21.04 66.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.37 -177.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.2 mtm105 -83.08 -58.66 2.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.995 0.426 . . . . 0.0 110.658 178.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -39.41 72.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.991 -175.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.453 ' HB2' ' CD1' ' A' ' 58' ' ' TRP . 1.6 mm-40 -108.07 31.39 5.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.26 -178.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -38.42 134.77 1.26 Allowed Glycine 0 C--N 1.335 0.491 0 CA-C-N 115.137 -0.938 . . . . 0.0 113.888 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 4.0 mm? -83.71 127.1 69.05 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 115.43 -0.385 . . . . 0.0 110.402 -173.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 64' ' ' LEU . 19.2 Cg_exo -65.74 -47.45 3.91 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.296 1.998 . . . . 0.0 111.254 177.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.439 ' CB ' ' HB3' ' A' ' 69' ' ' ARG . 1.6 m -172.57 136.1 0.73 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.635 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -79.68 -43.43 22.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.704 0.288 . . . . 0.0 111.092 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.1 m -107.52 -26.7 10.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.036 0.446 . . . . 0.0 110.927 -177.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.543 ' HA ' ' HD2' ' A' ' 69' ' ' ARG . 1.5 tpt180 -84.58 166.84 16.82 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.206 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.65 160.31 32.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.78 0.324 . . . . 0.0 111.462 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.7 p -57.59 123.87 10.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.274 0.559 . . . . 0.0 110.423 177.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.83 147.97 35.85 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -175.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.246 0.91 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ttm . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.192 0.52 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.26 78.65 5.76 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.012 176.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.14 -166.25 2.46 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.871 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.519 ' HB3' HG22 ' A' ' 6' ' ' VAL . 2.0 tp60 -144.57 173.01 12.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.564 -178.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.431 HG21 ' HE2' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -77.22 27.6 0.15 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.899 0.381 . . . . 0.0 111.841 179.495 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.519 HG22 ' HB3' ' A' ' 4' ' ' GLN . 2.7 m -85.32 -34.29 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.289 0.566 . . . . 0.0 109.794 176.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.45 70.97 10.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.361 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.436 ' HA3' ' HD3' ' A' ' 9' ' ' PRO . . . -111.55 -129.12 5.35 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.02 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.436 ' HD3' ' HA3' ' A' ' 8' ' ' GLY . 5.6 Cg_exo -79.44 125.39 6.27 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 123.034 2.489 . . . . 0.0 111.966 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.62 170.12 17.01 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.489 178.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' CD ' ' H ' ' A' ' 11' ' ' GLU . 1.8 mp0 -53.02 -46.6 68.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -175.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -71.66 -29.31 64.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.964 0.411 . . . . 0.0 110.489 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.404 ' NE2' ' HG ' ' A' ' 42' ' ' LEU . 18.3 mm100 -73.2 -38.91 65.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.701 177.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.35 -28.57 45.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.226 0.536 . . . . 0.0 109.758 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -61.35 -49.16 78.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.04 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.2 mt -69.35 -33.89 59.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.35 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.642 HD11 HG23 ' A' ' 47' ' ' THR . 0.1 OUTLIER -68.93 -49.68 55.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.591 -177.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.537 ' HG2' ' HZ2' ' A' ' 50' ' ' TRP . 8.5 mm-40 -61.1 -41.3 96.41 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.827 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.482 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -61.99 -39.39 92.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.175 177.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.612 ' O ' HG12 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -70.07 -55.61 9.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.698 -177.034 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.474 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 21.7 t80 -56.6 -33.51 66.31 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.035 0.445 . . . . 0.0 110.685 -177.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -79.87 -12.03 59.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -105.01 -55.04 2.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.665 -175.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.612 HG12 ' O ' ' A' ' 20' ' ' ASN . 1.9 p -74.28 -67.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -175.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.549 ' H ' HG13 ' A' ' 24' ' ' VAL . 54.1 t30 -175.66 159.92 2.39 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -168.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.63 ' O ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -93.15 28.19 2.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.049 0.452 . . . . 0.0 110.512 179.392 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.507 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 2.2 m80 -139.83 132.15 14.92 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 27' ' ' HIS . 7.9 Cg_exo -73.31 70.47 3.9 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.863 2.375 . . . . 0.0 111.567 177.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 7.3 m-20 -63.16 145.11 97.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.33 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 29' ' ' ASP . 35.6 Cg_exo -57.39 -39.24 90.91 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 123.123 2.548 . . . . 0.0 111.968 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.59 -41.09 89.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.03 179.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.443 ' O ' HG12 ' A' ' 36' ' ' ILE . 5.8 m -72.99 -45.5 57.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.872 -177.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.426 ' HA ' HD23 ' A' ' 33' ' ' LEU . 13.8 mt -55.13 -62.07 1.9 Allowed 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -170.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.1 m -69.57 -26.88 64.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -174.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.3 mt -77.3 -48.67 16.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.771 0.32 . . . . 0.0 111.273 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.443 HG12 ' O ' ' A' ' 32' ' ' THR . 3.2 pt -74.36 -25.07 19.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.037 -178.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.417 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -61.93 -36.5 81.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.418 176.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.13 -40.71 86.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.605 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.75 -33.4 73.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.06 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.84 -22.64 24.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.726 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.8 35.95 14.86 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.93 -177.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 42' ' ' LEU . 10.1 mt -123.33 -179.42 4.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 -177.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.403 ' OG1' ' HG3' ' A' ' 46' ' ' GLN . 21.0 p -110.35 164.8 12.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.245 177.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.74 -48.75 78.72 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -176.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.42 -49.24 76.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.603 -175.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.403 ' HG3' ' OG1' ' A' ' 43' ' ' THR . 7.1 mt-30 -62.22 -45.55 92.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -177.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.642 HG23 HD11 ' A' ' 17' ' ' LEU . 2.6 m -67.87 -40.16 83.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.437 -177.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' OE1' ' HE2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -64.53 -46.18 83.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.148 -177.853 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.431 ' HE2' HG21 ' A' ' 5' ' ' THR . 7.2 tttt -62.89 -41.11 99.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.402 . . . . 0.0 110.717 -179.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.537 ' HZ2' ' HG2' ' A' ' 18' ' ' GLU . 80.2 t90 -65.55 -49.93 67.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.067 -178.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.474 ' CD2' ' HD2' ' A' ' 21' ' ' PHE . 5.2 m-85 -57.56 -43.22 84.33 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.952 0.406 . . . . 0.0 110.287 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.4 ' HE2' ' OE1' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -63.19 -35.14 79.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.246 179.603 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.14 -30.71 69.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.832 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.423 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 1.7 mmp_? -78.76 -26.78 44.57 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.944 0.402 . . . . 0.0 110.012 176.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.63 HD13 ' O ' ' A' ' 26' ' ' LYS . 49.3 tp -62.25 -31.11 71.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.328 177.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.83 -33.75 72.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.437 175.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -78.37 -25.42 46.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.99 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.45 ' HE3' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -55.27 -35.79 65.41 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.491 -179.735 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -62.7 -22.25 66.36 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.647 -176.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -82.62 -42.93 17.6 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.044 0.45 . . . . 0.0 110.638 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.43 -66.18 0.93 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.354 -176.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.42 30.45 7.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -169.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -138.09 -81.19 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 119.409 -1.377 . . . . 0.0 114.232 -174.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -107.98 162.02 21.28 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 122.288 0.235 . . . . 0.0 110.933 -169.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.693 ' HB3' ' HB3' ' A' ' 69' ' ' ARG . 21.0 Cg_exo -67.07 85.75 0.32 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.921 2.414 . . . . 0.0 113.169 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.4 m -100.6 8.69 43.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.59 0.709 . . . . 0.0 109.244 171.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -145.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.301 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.68 39.68 0.69 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.548 -178.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.693 ' HB3' ' HB3' ' A' ' 65' ' ' PRO . 6.3 ttm180 -119.46 171.96 7.97 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.11 105.69 0.51 Allowed 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 173.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.6 m -55.71 124.92 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.671 -173.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 m -108.6 139.43 43.38 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.4 176.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.3 t70 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.293 -0.861 . . . . 0.0 109.915 -178.562 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtp . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.837 0.351 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.68 165.43 11.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.203 177.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 47.9 60.61 3.44 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.693 0.621 . . . . 0.0 111.379 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -108.23 -168.48 1.37 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.838 -176.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.8 79.36 1.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.013 0.435 . . . . 0.0 111.415 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.16 -36.73 78.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.4 17.56 23.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.039 0.447 . . . . 0.0 110.813 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -134.15 -153.24 6.91 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -69.92 121.77 8.42 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.694 2.263 . . . . 0.0 112.017 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -79.99 174.58 11.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.824 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -45.7 80.7 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.808 0.337 . . . . 0.0 111.509 -176.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -63.63 -36.42 83.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.006 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -72.02 -40.78 68.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.202 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.3 t -60.27 -37.36 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.144 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.29 -51.16 70.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.603 176.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.7 mt -65.26 -40.08 87.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.936 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.1 mt -69.39 -47.86 62.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.55 -177.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.444 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 2.1 mm-40 -56.91 -47.59 80.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 111.083 -177.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.595 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 7.3 t80 -55.62 -41.74 73.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.579 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -73.92 -46.85 41.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.263 -177.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.68 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 41.6 t80 -58.17 -40.32 81.14 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.069 0.461 . . . . 0.0 111.564 -178.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -85.05 -9.04 58.4 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.356 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.595 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -110.24 8.61 23.66 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -177.674 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.666 HG23 ' H ' ' A' ' 25' ' ' ASN . 1.6 m -99.75 -98.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.666 ' H ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -150.58 26.22 0.76 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 176.459 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 3.8 mmtp 68.25 -56.88 0.49 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.153 -169.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -75.4 119.11 75.5 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 172.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.513 ' HG3' ' HB3' ' A' ' 51' ' ' PHE . 44.1 Cg_endo -68.12 139.98 48.12 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.634 2.223 . . . . 0.0 112.767 -176.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -84.91 162.5 49.59 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.534 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.8 -29.82 83.54 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 122.041 1.827 . . . . 0.0 111.031 171.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -41.74 84.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.837 178.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.452 HG21 HG11 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -61.43 -48.75 79.74 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.971 -178.139 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.4 mt -57.86 -37.8 74.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.0 m -75.59 -52.2 11.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.82 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.662 ' HG ' ' N ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -78.1 -49.43 13.94 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -170.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.662 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -77.24 -25.38 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 120.65 -0.42 . . . . 0.0 112.073 -171.448 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.441 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -63.56 -40.73 97.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.019 0.438 . . . . 0.0 109.928 177.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.17 -28.67 65.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.795 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.67 -36.75 60.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.921 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.31 -10.91 47.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.405 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.25 27.42 66.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.973 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 42' ' ' LEU . 11.1 mt -105.88 146.7 29.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.7 0.286 . . . . 0.0 110.325 -176.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.32 169.96 15.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.979 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.28 -44.17 68.07 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.21 -174.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.52 ' H ' ' HG3' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -64.41 -43.77 93.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.431 -177.542 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -60.6 -50.91 71.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.503 -175.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.82 -47.26 81.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.305 -176.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -63.21 -48.94 76.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.949 0.404 . . . . 0.0 111.064 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 6.2 tptp -59.88 -47.29 86.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.288 -176.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.68 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 89.2 t90 -66.85 -51.85 50.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.322 -177.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.513 ' HB3' ' HG3' ' A' ' 28' ' ' PRO . 10.8 m-85 -56.06 -44.92 79.36 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.02 0.438 . . . . 0.0 110.481 -177.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' HA ' HD12 ' A' ' 55' ' ' LEU . 1.7 ttpp -68.75 -32.71 72.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.249 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.47 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -69.47 -37.23 77.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.465 -179.297 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 50' ' ' TRP . 14.0 mmm180 -72.94 -28.9 62.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.616 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 52' ' ' LYS . 11.3 mt -62.34 -36.07 81.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.358 0.599 . . . . 0.0 110.003 176.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.65 -44.49 50.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.072 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.437 ' OE1' ' HD2' ' A' ' 54' ' ' ARG . 86.8 mt-10 -69.02 -37.92 78.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.72 -177.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.36 -36.16 66.02 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.321 -175.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -59.96 -33.67 72.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.99 0.424 . . . . 0.0 111.067 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -82.15 -34.03 29.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.657 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.45 -61.47 1.9 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.925 -178.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.477 ' O ' HG23 ' A' ' 72' ' ' THR . 5.4 mt-10 -72.92 -37.33 67.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.171 -173.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.81 95.11 0.05 OUTLIER Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.069 -177.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.473 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 3.7 mp -72.94 128.96 87.19 Favored Pre-proline 0 C--N 1.328 -0.358 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 64' ' ' LEU . 9.4 Cg_exo -72.81 26.54 0.29 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.368 2.712 . . . . 0.0 113.67 -174.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.96 2.04 3.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.942 0.401 . . . . 0.0 110.673 177.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.3 80.64 1.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.3 m 58.81 -153.5 0.38 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.728 -173.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.528 ' H ' ' HG3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -81.12 89.39 5.98 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.981 -0.687 . . . . 0.0 109.817 176.057 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.444 ' O ' ' HA ' ' A' ' 65' ' ' PRO . 3.4 m -142.69 94.69 2.67 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.4 t -101.88 135.55 38.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.915 0.388 . . . . 0.0 110.751 -174.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -74.85 74.76 2.13 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.154 0.502 . . . . 0.0 109.732 172.305 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 t70 . . . . . 0 C--O 1.244 0.78 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.399 -176.192 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.89 0.376 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.71 30.75 1.13 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.43 -177.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.5 -70.96 0.68 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.931 0.396 . . . . 0.0 110.399 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -98.93 88.68 4.06 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.38 41.45 3.39 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.999 0.428 . . . . 0.0 110.831 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 t -101.13 97.44 5.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 m 70.65 -17.07 0.3 Allowed 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.51 -94.54 0.86 Allowed Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -74.66 108.4 2.69 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.498 2.132 . . . . 0.0 111.338 172.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -178.36 2.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.393 -178.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -41.38 83.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.78 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -34.66 77.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.479 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.508 HE22 ' HB1' ' A' ' 40' ' ' ALA . 4.0 mm-40 -72.3 -43.17 64.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.804 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.5 t -60.99 -27.93 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.166 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -63.25 -46.5 86.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.145 0.497 . . . . 0.0 110.158 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.0 mt -70.36 -45.82 73.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.05 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.729 HD11 HG23 ' A' ' 47' ' ' THR . 0.2 OUTLIER -60.95 -49.36 77.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.036 -176.331 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.427 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 3.0 tp10 -61.06 -40.28 93.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.594 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -64.07 -49.06 73.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.011 176.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.65 ' O ' HG12 ' A' ' 24' ' ' VAL . 2.5 m120 -54.58 -60.84 2.81 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.317 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.48 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 18.7 t80 -56.48 -44.05 80.22 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.334 0.396 . . . . 0.0 111.467 -174.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -73.98 -20.3 60.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.848 -174.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.2 29.67 6.03 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -173.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.839 HG13 ' H ' ' A' ' 25' ' ' ASN . 2.3 p -116.53 -80.92 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 171.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.839 ' H ' HG13 ' A' ' 24' ' ' VAL . 5.3 p30 -161.55 20.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.573 ' HD3' ' CD1' ' A' ' 58' ' ' TRP . 41.7 mttt 67.77 -67.1 0.19 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.35 -177.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -106.09 97.14 14.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.748 0.309 . . . . 0.0 110.275 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.502 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 94.9 Cg_endo -86.8 -168.88 0.46 Allowed 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 122.683 2.256 . . . . 0.0 112.655 -177.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.535 ' HB2' ' HD2' ' A' ' 30' ' ' PRO . 14.2 p30 -118.53 171.13 5.52 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.387 178.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.535 ' HD2' ' HB2' ' A' ' 29' ' ' ASP . 72.6 Cg_exo -52.29 -39.06 73.37 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.615 2.21 . . . . 0.0 112.742 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -49.18 78.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.769 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.502 ' HB ' ' HB2' ' A' ' 28' ' ' PRO . 27.5 m -62.27 -44.02 97.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.229 178.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.428 HD23 HD11 ' A' ' 36' ' ' ILE . 6.2 mt -62.94 -36.67 84.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.066 -174.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.1 m -68.0 -44.11 77.33 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.458 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -71.85 -37.18 70.29 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.367 -176.762 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 32' ' ' THR . 33.1 pt -71.06 -37.17 66.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.794 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.94 94.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.999 0.428 . . . . 0.0 110.261 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.24 84.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.904 177.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.421 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 2.1 mm-40 -71.56 -40.35 70.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.508 ' HB1' HE22 ' A' ' 13' ' ' GLN . . . -73.09 -22.36 60.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.098 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.25 32.08 40.12 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.696 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.547 ' HG ' ' N ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -131.37 156.92 44.71 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -177.451 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.547 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 4.1 p -72.47 144.17 48.16 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.36 -174.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -51.3 -43.53 61.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.47 -175.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -54.77 -45.81 74.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.469 -177.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -66.8 -41.66 87.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.476 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.729 HG23 HD11 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -61.06 -48.29 82.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.09 0.471 . . . . 0.0 110.647 177.422 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -63.34 -44.37 95.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.858 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -44.76 95.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.733 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.48 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 74.1 t90 -64.21 -47.12 80.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.79 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -59.96 -38.28 82.04 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.028 0.442 . . . . 0.0 110.154 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -30.4 70.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.498 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.414 ' HG2' ' HE ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -68.28 -37.28 80.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.712 0.291 . . . . 0.0 110.452 -179.702 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.414 ' HE ' ' HG2' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -76.82 -18.73 58.22 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.528 -178.162 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.462 ' HA ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -58.99 -33.93 71.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.332 -179.509 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.34 -37.05 63.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.121 0.486 . . . . 0.0 110.691 178.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -72.52 -39.57 67.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.96 -177.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.573 ' CD1' ' HD3' ' A' ' 26' ' ' LYS . 1.1 t90 -56.76 -38.34 72.31 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.156 0.503 . . . . 0.0 110.737 178.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.5 mtm105 -67.61 -19.96 65.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.389 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.4 mmt-85 -76.18 -48.4 20.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.042 0.449 . . . . 0.0 110.487 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -65.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.885 -176.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -109.66 -35.52 6.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.842 0.354 . . . . 0.0 111.211 -177.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.68 -129.06 8.9 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 120.361 -0.924 . . . . 0.0 111.557 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.448 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 2.7 mm? -120.37 125.5 27.19 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -179.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.767 ' HG2' HG13 ' A' ' 71' ' ' VAL . 13.6 Cg_exo -70.91 48.3 0.82 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.226 2.617 . . . . 0.0 112.852 178.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.0 p -169.73 -82.99 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.693 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.447 ' HB3' ' H ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -171.33 -93.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.677 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.447 ' H ' ' HB3' ' A' ' 67' ' ' GLU . 1.8 m -109.01 34.03 3.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.433 0.635 . . . . 0.0 109.668 174.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -118.73 176.19 5.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.365 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -174.16 2.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.053 178.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.767 HG13 ' HG2' ' A' ' 65' ' ' PRO . 38.4 t -69.94 104.58 1.13 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.273 0.558 . . . . 0.0 109.999 177.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.16 148.02 50.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.031 -178.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.4 t0 . . . . . 0 C--O 1.252 1.207 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.764 179.744 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m 59.4 -88.64 0.02 OUTLIER 'General case' 0 C--O 1.233 0.213 0 O-C-N 123.799 0.687 . . . . 0.0 111.734 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 54.44 -128.24 2.27 Favored 'General case' 0 C--O 1.232 0.148 0 O-C-N 123.336 0.398 . . . . 0.0 109.938 -174.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.01 89.11 2.01 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 175.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.56 64.24 8.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.973 0.416 . . . . 0.0 110.9 -178.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 m -95.78 -9.82 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.382 0.611 . . . . 0.0 109.805 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.38 107.38 15.0 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.291 178.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.05 -149.48 18.2 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.255 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -67.55 148.46 78.57 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.881 2.387 . . . . 0.0 112.116 -178.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.26 169.49 18.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.743 177.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.68 -44.24 77.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 110.95 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -35.04 79.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.856 179.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -72.9 -41.45 64.62 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.269 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.27 -34.42 66.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.399 177.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -58.08 -52.04 67.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.399 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.5 mt -63.07 -38.34 81.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.056 0.455 . . . . 0.0 110.254 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -62.72 -49.99 72.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.244 -178.505 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.477 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 2.0 tt0 -68.37 -37.55 80.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.816 -177.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -64.06 -42.53 96.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.682 177.043 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -68.14 -44.9 75.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.682 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.44 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 34.4 t80 -55.05 -44.27 74.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.476 178.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -73.15 -34.32 66.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.226 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -79.18 -40.29 31.22 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -175.332 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' A' ' 25' ' ' ASN . 54.9 t -66.02 -76.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -176.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.489 ' HB2' HG12 ' A' ' 24' ' ' VAL . 1.6 m-80 -164.88 4.45 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.649 0.261 . . . . 0.0 110.849 -174.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.5 mtmm 61.68 20.14 11.08 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.414 0.626 . . . . 0.0 110.254 -170.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -141.1 138.83 18.29 Favored Pre-proline 0 N--CA 1.453 -0.301 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.734 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.472 ' HB3' ' CB ' ' A' ' 51' ' ' PHE . 92.5 Cg_endo -86.35 82.19 1.41 Allowed 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.643 2.229 . . . . 0.0 112.726 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.59 137.47 96.42 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 175.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.99 -43.5 56.14 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.798 2.332 . . . . 0.0 112.318 -177.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -43.64 89.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.094 0.474 . . . . 0.0 110.617 178.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.574 ' O ' HG12 ' A' ' 36' ' ' ILE . 85.1 m -61.88 -37.21 83.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.355 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.413 HD12 HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -55.23 -46.6 75.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.857 -174.086 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 m -61.15 -47.6 85.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.81 -176.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 32' ' ' THR . 0.3 OUTLIER -73.18 -42.76 62.39 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.735 -174.701 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 32' ' ' THR . 46.7 pt -69.16 -29.28 42.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.139 -178.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.67 -42.32 91.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.992 0.425 . . . . 0.0 110.2 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.34 -34.41 74.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.477 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -70.99 -28.72 64.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.18 0.11 47.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.47 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.91 41.06 99.96 Favored Glycine 0 C--N 1.33 0.222 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.795 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.69 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -141.17 173.04 11.87 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -176.855 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.619 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 7.4 p -88.09 152.3 22.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.841 0.353 . . . . 0.0 111.927 -175.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.79 -46.24 91.28 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.145 -175.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.476 ' HG2' ' N ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -56.64 -38.14 71.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.173 -176.834 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.69 ' HB2' HD11 ' A' ' 42' ' ' LEU . 3.6 mm100 -72.3 -36.16 68.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.586 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.432 HG22 ' CE1' ' A' ' 51' ' ' PHE . 0.2 OUTLIER -64.83 -49.79 69.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.099 0.476 . . . . 0.0 110.178 179.152 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.11 -46.8 89.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.966 -178.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -38.44 89.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.364 -178.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.477 ' HH2' ' HA ' ' A' ' 18' ' ' GLU . 84.5 t90 -74.42 -49.98 20.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.472 ' CB ' ' HB3' ' A' ' 28' ' ' PRO . 10.2 m-85 -57.5 -41.81 81.5 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.035 0.445 . . . . 0.0 110.725 -177.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -31.43 72.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.201 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -33.54 67.12 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.122 -0.231 . . . . 0.0 110.781 -177.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -71.83 -26.54 62.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.752 0.31 . . . . 0.0 110.983 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -54.67 -43.59 72.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.63 -179.064 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.81 -32.59 62.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.522 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -81.05 -43.73 19.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.686 -175.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -55.4 -40.49 71.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.714 -172.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -65.52 -27.66 68.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.369 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -39.55 27.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.823 -177.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -38.8 86.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.947 0.403 . . . . 0.0 110.478 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.491 ' HB2' HD23 ' A' ' 64' ' ' LEU . 6.6 mm-40 -70.31 -35.37 73.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.646 177.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 67.42 38.02 90.7 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.083 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.491 HD23 ' HB2' ' A' ' 62' ' ' GLU . 1.1 pp -86.67 114.98 60.64 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 121.112 0.482 . . . . 0.0 110.688 -178.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.916 ' HA ' ' HB2' ' A' ' 70' ' ' SER . 56.4 Cg_endo -70.45 99.79 0.85 Allowed 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.521 2.147 . . . . 0.0 111.806 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.08 -72.94 0.68 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.24 -177.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.8 170.52 18.56 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.3 t 60.16 -150.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 -174.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.97 90.62 8.49 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.065 0.459 . . . . 0.0 110.716 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.916 ' HB2' ' HA ' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -112.51 94.26 4.83 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 172.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -82.92 104.43 11.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.143 -170.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.45 120.92 8.49 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.33 172.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.412 -0.804 . . . . 0.0 110.823 -177.389 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ttm . . . . . 0 N--CA 1.469 0.511 0 CA-C-O 120.71 0.291 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.59 152.13 44.26 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.678 176.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.58 148.44 51.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.84 -177.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -131.05 133.27 45.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.906 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.437 ' HB ' ' H ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -127.54 -141.68 0.27 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.24 178.812 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.437 ' H ' ' HB ' ' A' ' 5' ' ' THR . 2.1 t -96.31 -4.77 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.514 0.674 . . . . 0.0 109.474 175.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.46 163.59 18.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.261 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 167.86 -135.13 3.5 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.62 -0.592 . . . . 0.0 111.62 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.09 135.73 27.94 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.334 2.023 . . . . 0.0 112.424 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.36 -179.31 7.37 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.674 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.98 -50.01 67.51 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -174.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -33.94 75.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.087 0.47 . . . . 0.0 110.578 -177.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -68.85 -40.72 79.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.352 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.9 t -62.92 -37.47 79.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.869 175.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -59.72 -47.86 83.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.354 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.2 mt -63.17 -37.38 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.397 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.15 -50.81 62.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.189 -178.231 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -59.23 -46.41 88.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.717 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -57.68 -47.6 81.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.305 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.549 ' O ' HG12 ' A' ' 24' ' ' VAL . 2.4 m-80 -65.57 -49.29 69.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.338 -176.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.581 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 32.3 t80 -58.37 -43.03 88.24 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.54 0.209 . . . . 0.0 110.538 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -63.58 -27.33 69.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -87.57 -26.99 22.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.638 -177.386 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.82 HG21 HG21 ' A' ' 32' ' ' THR . 6.3 p -98.08 -51.82 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -177.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.409 ' N ' HG13 ' A' ' 24' ' ' VAL . 1.4 m-80 53.42 67.57 0.98 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.259 0.552 . . . . 0.0 109.777 -173.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HB2' ' H ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -94.63 -153.79 0.4 Allowed 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.269 -171.28 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.628 ' HB3' ' CD ' ' A' ' 28' ' ' PRO . 3.0 m-70 -140.22 -167.59 0.16 Allowed Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.821 -176.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.628 ' CD ' ' HB3' ' A' ' 27' ' ' HIS . 25.0 Cg_exo -66.76 56.3 0.48 Allowed 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 122.078 1.852 . . . . 0.0 112.782 171.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.483 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 2.5 p-10 -110.23 139.08 21.1 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.981 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.733 ' HA ' HD12 ' A' ' 33' ' ' LEU . 4.7 Cg_exo -78.95 -22.71 8.51 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 123.34 2.694 . . . . 0.0 112.176 174.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -49.54 76.72 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -171.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.82 HG21 HG21 ' A' ' 24' ' ' VAL . 2.1 m -69.6 -28.61 66.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.841 0.353 . . . . 0.0 111.562 -177.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 30' ' ' PRO . 37.5 mt -63.24 -41.32 99.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.339 -176.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.5 m -59.67 -49.87 76.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.03 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 32' ' ' THR . 0.8 OUTLIER -67.71 -38.79 84.09 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.144 -176.571 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.585 HD13 ' CZ ' ' A' ' 51' ' ' PHE . 69.1 mt -69.61 -40.22 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.836 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.52 -48.69 80.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.829 0.347 . . . . 0.0 110.465 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.12 99.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.022 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.87 -46.91 87.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.322 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.542 ' HB3' HD23 ' A' ' 42' ' ' LEU . . . -79.54 -13.82 59.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.737 -176.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.91 29.48 60.86 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.998 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.542 HD23 ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -125.32 167.83 14.36 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -178.007 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.61 ' HB ' ' OE1' ' A' ' 45' ' ' GLU . 4.3 p -88.94 142.93 27.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.808 0.337 . . . . 0.0 111.337 -174.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -50.88 -38.74 51.34 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.74 -175.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.61 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 2.0 mp0 -54.14 -48.01 71.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.46 -177.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.528 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 7.5 mt-30 -73.05 -33.4 65.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.828 0.347 . . . . 0.0 110.716 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.409 HG23 HD21 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -66.02 -47.1 75.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.781 179.732 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 52' ' ' LYS . 29.4 tt0 -59.55 -44.43 93.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.834 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -43.67 88.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.908 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.486 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 84.5 t90 -72.66 -49.94 28.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.242 -176.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.585 ' CZ ' HD13 ' A' ' 36' ' ' ILE . 24.4 m-85 -62.98 -27.83 69.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.474 -177.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 3.5 tttp -66.52 -42.13 87.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.058 178.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -69.66 -28.32 65.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.784 -177.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.444 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 2.4 mmp_? -77.55 -36.08 52.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.283 177.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.549 HD11 ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -55.37 -41.56 72.78 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.144 177.422 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 60' ' ' ARG . . . -63.26 -54.65 33.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.796 177.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.22 -43.81 95.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.59 -176.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 5.9 t90 -60.19 -46.53 89.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.407 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.474 ' O ' ' HA2' ' A' ' 63' ' ' GLY . 61.5 mtm180 -68.35 -20.33 64.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.608 -177.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -75.37 -58.9 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.168 0.508 . . . . 0.0 110.356 175.677 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -75.13 -47.82 26.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.435 -174.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -91.62 -36.1 13.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.761 0.315 . . . . 0.0 111.028 -177.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 59' ' ' ARG . . . 83.49 -139.68 19.04 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.764 -0.731 . . . . 0.0 111.984 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.68 129.32 25.43 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.2 -43.24 3.25 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.881 2.387 . . . . 0.0 113.362 -177.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.55 91.21 3.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.982 0.42 . . . . 0.0 111.482 -176.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.424 ' HB3' ' H ' ' A' ' 68' ' ' CYS . 1.2 tt0 -86.72 -86.33 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.325 177.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.424 ' H ' ' HB3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -97.6 -46.81 5.88 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.289 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -99.48 164.8 11.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.542 176.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.61 83.81 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.163 0.506 . . . . 0.0 111.173 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.8 t -98.08 145.93 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 174.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.4 t -120.67 151.96 38.83 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.93 -175.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.252 1.187 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.071 173.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.464 0.274 0 CA-C-O 120.942 0.401 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.88 -24.31 67.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.684 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.71 96.68 6.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.057 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -107.7 88.1 2.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.193 0.521 . . . . 0.0 109.766 177.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.63 68.17 0.66 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.552 -178.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.612 HG13 ' HE3' ' A' ' 49' ' ' LYS . 14.0 t -72.68 -52.67 21.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.119 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.1 m -160.57 133.68 6.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.468 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -142.67 65.56 0.48 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.892 174.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -90.9 110.79 0.35 Allowed 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 123.136 2.557 . . . . 0.0 112.581 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 p -78.76 167.66 20.87 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.241 177.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -56.3 -36.42 68.64 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -174.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -65.78 -38.54 89.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.249 0.547 . . . . 0.0 110.457 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.62 HE22 ' HB1' ' A' ' 40' ' ' ALA . 32.0 tp60 -73.63 -36.51 65.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.113 176.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.472 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 16.5 t -64.7 -28.77 45.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.61 -49.4 62.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.85 177.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mt -68.09 -41.67 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.253 177.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.29 -48.78 79.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.569 -177.858 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -62.39 -38.37 89.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.445 179.878 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -61.71 -47.27 86.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.049 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.439 ' O ' ' HB ' ' A' ' 24' ' ' VAL . 11.7 m120 -58.04 -53.49 57.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.333 177.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.527 ' O ' HG12 ' A' ' 24' ' ' VAL . 39.4 t80 -61.22 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.337 . . . . 0.0 111.204 -177.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.2 m-80 -69.36 -38.34 78.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.717 0.294 . . . . 0.0 111.182 -177.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -83.69 -19.55 35.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.769 -177.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 21' ' ' PHE . 1.0 OUTLIER -79.4 -5.69 8.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.2 0.524 . . . . 0.0 110.761 178.577 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 75.43 48.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.583 -1.189 . . . . 0.0 109.779 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' O ' ' HD3' ' A' ' 28' ' ' PRO . 0.8 OUTLIER 73.36 -55.72 0.67 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.006 176.214 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -89.1 111.02 42.5 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.79 0.328 . . . . 0.0 111.566 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 26' ' ' LYS . 85.0 Cg_endo -81.75 155.94 18.19 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.622 2.215 . . . . 0.0 112.019 177.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.28 160.35 31.62 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.78 -36.46 95.26 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.339 2.026 . . . . 0.0 111.414 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -41.53 95.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.678 176.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.449 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.4 OUTLIER -61.63 -48.06 82.57 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.793 179.338 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.0 mt -55.14 -39.13 69.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.161 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.3 t -68.76 -51.31 42.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.304 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' A' ' 32' ' ' THR . 0.9 OUTLIER -70.83 -35.73 72.59 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -173.543 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 32' ' ' THR . 7.4 pt -76.13 -35.2 27.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.884 -179.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -65.51 -43.06 91.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.429 . . . . 0.0 110.285 178.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.79 -47.46 80.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.84 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -38.46 91.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.468 -178.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.62 ' HB1' HE22 ' A' ' 13' ' ' GLN . . . -81.72 -22.22 37.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.507 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.92 33.85 25.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.585 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.614 HD11 ' HB2' ' A' ' 46' ' ' GLN . 1.1 tp -125.91 153.25 44.49 Favored 'General case' 0 N--CA 1.434 -1.229 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -175.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.452 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -86.79 153.41 21.7 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.623 -0.431 . . . . 0.0 112.064 -175.337 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -51.33 -46.35 62.59 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 114.88 -1.055 . . . . 0.0 112.887 -175.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -55.49 -42.02 73.85 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.346 -176.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.614 ' HB2' HD11 ' A' ' 42' ' ' LEU . 29.9 mt-30 -72.5 -43.62 63.38 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.931 -177.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -48.25 82.28 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.983 0.42 . . . . 0.0 110.78 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -38.0 89.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.188 -177.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.612 ' HE3' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -70.11 -47.13 63.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.704 0.287 . . . . 0.0 110.968 -178.559 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -64.59 -46.69 81.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.69 -178.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.411 ' HZ ' ' HB2' ' A' ' 20' ' ' ASN . 14.0 m-85 -61.72 -37.9 85.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.34 . . . . 0.0 110.102 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.11 -37.38 87.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.099 178.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -42.21 98.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.02 0.438 . . . . 0.0 109.986 178.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.51 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 5.3 mmt180 -74.57 -31.0 61.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.334 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.53 -38.03 89.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.037 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.26 -46.87 87.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.961 175.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -59.42 -45.26 92.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.667 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -57.93 -47.52 82.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.457 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 -63.81 -39.65 94.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.074 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -63.47 -55.32 25.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.147 0.498 . . . . 0.0 111.148 179.436 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 m -58.87 -49.5 77.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.758 -177.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -72.09 -33.19 67.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.905 0.384 . . . . 0.0 111.177 -178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.51 50.85 10.64 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.446 -177.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.3 145.54 38.77 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 120.671 0.272 . . . . 0.0 110.621 -177.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.449 ' HA ' ' OG1' ' A' ' 72' ' ' THR . 85.1 Cg_endo -89.12 -150.13 0.04 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 122.939 2.426 . . . . 0.0 112.397 177.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.401 ' H ' ' HB2' ' A' ' 65' ' ' PRO . 0.1 OUTLIER -114.83 -72.92 0.67 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 176.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' HG3' ' H ' ' A' ' 68' ' ' CYS . 1.1 tp10 -89.04 177.06 6.75 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 174.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.421 ' H ' ' HG3' ' A' ' 67' ' ' GLU . 2.7 m -77.44 65.56 3.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.338 0.59 . . . . 0.0 111.252 -178.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -118.73 -174.25 2.65 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.468 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.75 148.5 24.71 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 175.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.1 p -62.81 139.01 21.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.33 0.586 . . . . 0.0 111.712 -174.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.449 ' OG1' ' HA ' ' A' ' 65' ' ' PRO . 0.5 OUTLIER -81.69 -178.89 7.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.063 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.4 t70 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.314 -0.85 . . . . 0.0 111.423 176.666 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ttp . . . . . 0 N--CA 1.471 0.606 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.6 138.51 41.48 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 68.83 -83.66 0.03 OUTLIER 'General case' 0 C--O 1.233 0.217 0 O-C-N 124.227 0.954 . . . . 0.0 110.378 -173.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -135.36 148.05 49.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -44.24 96.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.151 0.5 . . . . 0.0 110.265 176.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 t -107.97 73.47 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.649 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.418 ' OG ' ' HE2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -91.51 5.88 47.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.101 178.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.27 137.37 15.35 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.378 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.607 ' HB2' ' HB2' ' A' ' 13' ' ' GLN . 56.7 Cg_endo -68.95 163.55 37.13 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 123.091 2.527 . . . . 0.0 112.162 177.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.98 171.43 14.09 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.737 -177.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -53.05 -43.44 66.65 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.514 -176.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -45.62 81.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.778 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.607 ' HB2' ' HB2' ' A' ' 9' ' ' PRO . 28.5 mm100 -72.94 -35.43 66.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.858 -177.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.4 t -56.38 -35.34 43.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.487 178.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -46.19 82.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.443 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.428 HG21 ' HA ' ' A' ' 40' ' ' ALA . 21.5 mt -67.98 -33.84 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.539 0.685 . . . . 0.0 110.463 178.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.602 HD11 HG23 ' A' ' 47' ' ' THR . 0.1 OUTLIER -71.31 -49.23 44.82 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.844 -177.03 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 2.5 mt-10 -59.63 -41.43 90.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.3 -176.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -42.46 96.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 0.0 110.037 177.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -67.5 -51.44 51.07 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.801 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.602 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 32.8 t80 -58.06 -41.37 83.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.567 0.222 . . . . 0.0 110.595 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.6 t-20 -61.17 -41.88 97.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.061 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 3.42 47.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.356 -178.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.54 HG12 ' N ' ' A' ' 25' ' ' ASN . 3.0 t -114.97 -70.83 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -176.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.553 HD22 ' N ' ' A' ' 25' ' ' ASN . 1.0 OUTLIER 60.31 96.32 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 O-C-N 123.494 0.496 . . . . 0.0 110.239 -174.002 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HB2' ' H ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -132.56 -158.16 0.87 Allowed 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 122.017 0.913 . . . . 0.0 111.498 -171.551 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.469 ' H ' ' HB2' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -140.0 -178.58 0.85 Allowed Pre-proline 0 C--N 1.313 -1.021 0 CA-C-N 113.705 -1.589 . . . . 0.0 107.118 178.014 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -53.3 100.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 121.662 1.574 . . . . 0.0 111.293 169.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.465 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -150.99 135.75 9.96 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.641 -174.54 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 29' ' ' ASP . 5.8 Cg_exo -79.41 -36.55 0.64 Allowed 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 123.858 3.039 . . . . 0.0 112.647 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -50.01 67.95 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -170.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.422 ' O ' HG12 ' A' ' 36' ' ' ILE . 1.7 m -68.77 -28.85 67.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 111.52 -178.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.423 HD21 ' HB2' ' A' ' 48' ' ' GLN . 3.1 tp -67.58 -43.22 81.11 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -172.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -46.64 71.33 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.35 -45.58 31.42 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.488 -175.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.435 HD12 ' CZ ' ' A' ' 51' ' ' PHE . 39.0 pt -67.09 -32.75 59.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.655 -175.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.33 -41.53 89.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.936 0.398 . . . . 0.0 110.207 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.0 -40.7 82.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.586 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.79 -30.11 70.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.45 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.428 ' HA ' HG21 ' A' ' 16' ' ' ILE . . . -85.02 -22.42 29.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.748 0.308 . . . . 0.0 110.703 177.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.93 31.54 59.88 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.18 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.568 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -135.13 165.18 25.99 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 -175.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.452 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 1.1 p -73.35 153.01 40.67 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.415 0.626 . . . . 0.0 112.112 -172.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.4 ' HG2' HD23 ' A' ' 33' ' ' LEU . 6.4 mt-10 -60.19 -43.86 95.54 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.157 -0.929 . . . . 0.0 112.335 -176.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 2.0 mp0 -52.53 -49.45 64.82 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.31 0.381 . . . . 0.0 111.784 -175.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.568 ' HB2' HD11 ' A' ' 42' ' ' LEU . 1.4 mt-30 -67.13 -45.16 77.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.531 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.602 HG23 HD11 ' A' ' 17' ' ' LEU . 2.3 m -59.51 -45.32 92.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.137 178.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.423 ' HB2' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -65.44 -45.53 83.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.062 -178.198 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.418 ' HE2' ' OG ' ' A' ' 7' ' ' SER . 12.5 tptt -63.14 -43.69 97.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.612 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.507 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 77.3 t90 -63.95 -48.46 76.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.193 -179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CD2' ' HD2' ' A' ' 21' ' ' PHE . 13.2 m-85 -64.63 -27.34 68.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.562 -178.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.11 -33.43 56.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.995 0.426 . . . . 0.0 110.344 176.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -63.85 -48.29 77.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.553 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.485 ' HG3' ' CH2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -67.44 -25.29 65.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.455 -179.701 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' HG ' ' CE3' ' A' ' 58' ' ' TRP . 0.2 OUTLIER -63.25 -38.51 91.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.994 179.335 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.4 80.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.466 ' HG3' ' HA ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -81.68 -41.95 20.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.492 179.335 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.537 ' CD1' ' HG3' ' A' ' 62' ' ' GLU . 5.8 t90 -55.86 -45.0 78.61 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.072 -177.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.404 ' HG2' ' CE3' ' A' ' 58' ' ' TRP . 2.0 mmm180 -65.02 -21.45 66.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.717 -176.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -79.3 -57.38 3.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.913 0.387 . . . . 0.0 110.688 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -27.08 67.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.108 -173.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.537 ' HG3' ' CD1' ' A' ' 58' ' ' TRP . 0.4 OUTLIER -79.88 4.87 15.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.7 0.286 . . . . 0.0 111.34 -179.535 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.35 34.77 68.93 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.796 176.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mt -101.54 133.27 20.94 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.03 109.3 0.32 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.067 2.512 . . . . 0.0 112.075 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.58 37.6 1.06 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.129 0.49 . . . . 0.0 111.216 -176.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.2 58.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.348 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 71.7 m 63.05 -156.18 0.33 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.356 -173.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.13 89.48 7.3 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.259 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.92 176.48 7.28 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.845 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.8 104.65 17.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.12 114.64 24.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.473 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.6 t0 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.681 -0.675 . . . . 0.0 110.241 178.402 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.853 0.358 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.65 56.24 1.65 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.674 177.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.29 12.39 36.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.579 -174.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -73.86 95.91 2.51 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 175.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.62 -63.89 1.3 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -171.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 p -109.63 143.25 20.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.149 0.5 . . . . 0.0 112.093 -172.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.71 116.06 10.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.52 -0.763 . . . . 0.0 109.945 174.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.19 89.18 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.169 -178.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -63.11 128.06 21.88 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.755 2.303 . . . . 0.0 111.947 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.53 170.76 15.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.342 178.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -51.24 -44.02 61.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.065 0.459 . . . . 0.0 110.439 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -51.9 -51.62 55.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.12 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.511 ' HA ' HD12 ' A' ' 16' ' ' ILE . 29.7 mm100 -72.71 -35.25 67.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.925 -176.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 t -63.56 -29.42 47.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.387 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -66.7 -44.32 81.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.99 0.424 . . . . 0.0 110.319 177.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 13' ' ' GLN . 12.1 mt -66.23 -33.47 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.681 0.753 . . . . 0.0 109.945 176.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.703 HD11 HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -73.03 -49.02 31.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.56 -179.339 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.64 -44.11 85.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.259 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -40.46 94.84 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 177.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.431 ' O ' HG12 ' A' ' 24' ' ' VAL . 1.0 OUTLIER -70.22 -57.13 5.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.692 -175.203 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.427 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 25.2 t80 -54.96 -37.08 66.03 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -173.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.92 -7.12 58.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.221 -0.299 . . . . 0.0 111.762 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.46 -57.21 2.16 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -176.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.436 HG21 HG23 ' A' ' 32' ' ' THR . 0.2 OUTLIER -75.03 -61.99 1.49 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.542 0.21 . . . . 0.0 111.101 -175.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -178.63 156.62 0.9 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -177.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' O ' HD13 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -82.75 -22.83 34.24 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -171.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 0.5 OUTLIER -93.28 126.58 50.12 Favored Pre-proline 0 C--N 1.321 -0.663 0 O-C-N 122.246 -0.283 . . . . 0.0 111.157 -175.649 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.624 ' HG3' ' HB3' ' A' ' 51' ' ' PHE . 36.2 Cg_exo -59.81 97.32 0.11 Allowed 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.452 2.101 . . . . 0.0 111.857 177.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.03 149.1 35.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.425 -178.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.32 -43.11 61.67 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 123.038 2.492 . . . . 0.0 112.275 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -45.38 94.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.616 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.436 HG23 HG21 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -66.22 -49.02 68.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.219 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.627 ' HB3' ' HG2' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -55.84 -52.41 64.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.531 -0.758 . . . . 0.0 112.048 -172.211 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.3 m -60.71 -41.7 95.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.874 0.368 . . . . 0.0 111.728 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 mt -77.91 -50.17 12.75 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -173.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.539 HG13 ' N ' ' A' ' 37' ' ' ALA . 1.4 pt -80.67 -32.92 13.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -171.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.539 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -64.08 -50.35 68.68 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.757 0.313 . . . . 0.0 110.801 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.3 -45.39 88.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.055 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -34.08 75.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.241 -178.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.74 -22.31 60.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.744 0.307 . . . . 0.0 110.75 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.18 23.01 11.78 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.857 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 42' ' ' LEU . 20.9 mt -125.75 -177.5 3.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.0 p -113.94 168.29 9.92 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.19 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.627 ' HG2' ' HB3' ' A' ' 33' ' ' LEU . 1.6 mt-10 -60.21 -45.06 94.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.939 -175.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -63.74 -36.18 83.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.005 -174.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -70.52 -48.57 54.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.059 0.457 . . . . 0.0 110.673 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.703 HG23 HD11 ' A' ' 17' ' ' LEU . 2.6 m -69.6 -36.37 76.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.878 -176.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.87 -45.73 92.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.035 0.445 . . . . 0.0 110.536 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.69 -41.47 95.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.753 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.466 ' CH2' ' HG3' ' A' ' 54' ' ' ARG . 83.2 t90 -66.02 -48.7 70.29 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.419 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.624 ' HB3' ' HG3' ' A' ' 28' ' ' PRO . 3.7 m-85 -55.9 -42.97 76.82 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 120.958 0.409 . . . . 0.0 110.05 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.446 ' HD3' ' HG2' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -63.37 -36.87 85.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.293 179.439 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.536 ' HG2' ' HD3' ' A' ' 54' ' ' ARG . 10.0 tt0 -60.9 -46.93 88.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.618 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.536 ' HD3' ' HG2' ' A' ' 53' ' ' GLN . 1.5 mmt85 -73.76 -29.67 62.35 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 26' ' ' LYS . 16.9 tp -60.99 -46.89 88.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.843 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.35 96.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.642 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -66.13 -43.97 85.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.843 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.43 ' CD1' ' HG3' ' A' ' 62' ' ' GLU . 2.0 t90 -55.75 -44.89 78.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.227 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.3 mtm105 -61.19 -51.51 68.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.683 -176.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 60' ' ' ARG . 0.4 OUTLIER -66.66 -28.47 68.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.505 -175.851 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.8 m -81.41 -27.74 34.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.784 0.325 . . . . 0.0 111.101 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.43 ' HG3' ' CD1' ' A' ' 58' ' ' TRP . 0.1 OUTLIER -79.09 -13.58 59.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.81 0.338 . . . . 0.0 111.172 -179.347 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.3 -0.64 26.64 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.763 176.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.22 124.5 89.29 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.452 ' HB3' ' O ' ' A' ' 70' ' ' SER . 2.6 Cg_endo -44.66 -72.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 124.131 3.221 . . . . 0.0 113.33 -173.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.98 -171.49 0.1 Allowed 'General case' 0 CA--C 1.536 0.426 0 O-C-N 123.539 0.524 . . . . 0.0 111.126 -178.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 65.77 -79.84 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.187 0.595 . . . . 0.0 111.466 177.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 62.2 m -132.11 -128.8 0.19 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -116.36 91.76 3.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.419 0.628 . . . . 0.0 110.77 177.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.452 ' O ' ' HB3' ' A' ' 65' ' ' PRO . 1.5 m -115.22 93.94 4.51 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.408 175.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -60.58 104.29 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.34 -176.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.78 75.34 4.27 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.393 176.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.8 t70 . . . . . 0 C--O 1.245 0.865 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.354 -176.046 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.47 0 CA-C-O 121.058 0.456 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.11 139.36 58.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.751 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.88 -74.0 0.17 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.02 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -135.85 152.2 50.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.803 0.335 . . . . 0.0 110.587 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.48 115.14 8.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.385 175.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.4 t -71.5 114.91 10.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.654 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 m 59.69 58.44 2.85 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.473 0.654 . . . . 0.0 110.361 -178.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.21 -166.2 21.62 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.357 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.88 130.11 21.09 Favored 'Trans proline' 0 N--CA 1.464 -0.24 0 C-N-CA 122.377 2.051 . . . . 0.0 111.851 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.59 -179.5 7.15 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.001 -175.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.49 -40.23 65.2 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -173.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.86 -43.2 98.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.882 0.373 . . . . 0.0 110.97 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -73.3 -36.1 66.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.276 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.4 t -59.36 -31.54 46.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.83 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.81 -43.64 97.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.959 0.409 . . . . 0.0 110.77 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.5 mt -75.88 -39.64 38.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.917 177.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -63.77 -49.75 71.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.588 -176.4 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.464 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.6 OUTLIER -60.58 -39.32 87.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.746 -177.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -65.93 -45.59 81.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.967 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.445 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -61.74 -50.96 70.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.323 -178.626 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.523 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 68.6 t80 -60.19 -37.42 80.17 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.644 0.259 . . . . 0.0 111.11 -178.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -70.9 -27.37 63.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.796 0.332 . . . . 0.0 110.91 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.86 -41.67 14.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.018 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.531 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 33.8 m -74.81 -25.5 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 121.09 0.472 . . . . 0.0 110.654 178.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.531 ' HB2' ' O ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER 83.01 -73.13 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 114.306 -1.315 . . . . 0.0 109.905 -179.682 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.478 ' HE3' ' CE2' ' A' ' 58' ' ' TRP . 7.6 mmtm -121.44 -145.65 0.36 Allowed 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 173.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -140.85 85.52 12.47 Favored Pre-proline 0 C--N 1.315 -0.935 0 CA-C-O 121.155 0.502 . . . . 0.0 110.81 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.452 ' O ' ' HB2' ' A' ' 29' ' ' ASP . 7.8 Cg_exo -72.61 95.67 0.8 Allowed 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.824 2.349 . . . . 0.0 111.154 177.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.452 ' HB2' ' O ' ' A' ' 28' ' ' PRO . 2.5 m-20 74.25 150.64 0.13 Allowed Pre-proline 0 CA--C 1.532 0.275 0 O-C-N 124.05 0.844 . . . . 0.0 111.053 -178.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.46 -10.26 25.52 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.056 2.504 . . . . 0.0 113.255 -178.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -46.95 66.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.636 -178.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.559 HG22 HD13 ' A' ' 36' ' ' ILE . 18.2 m -61.75 -48.95 78.38 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.756 0.312 . . . . 0.0 110.485 176.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.69 HD11 ' HA ' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -58.2 -51.44 69.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.006 -173.823 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.6 m -59.99 -35.09 74.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.93 0.395 . . . . 0.0 111.428 -178.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 35' ' ' LEU . 43.9 mt -77.37 -49.51 14.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.411 -178.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.559 HD13 HG22 ' A' ' 32' ' ' THR . 10.2 pt -68.29 -25.42 31.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.198 -176.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.63 -52.3 66.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.078 0.466 . . . . 0.0 110.491 176.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.69 -36.85 85.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.68 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -36.22 82.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.778 177.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.23 -10.97 59.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.027 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.39 34.84 49.56 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.324 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.838 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -142.69 162.44 35.47 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -177.123 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.447 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -76.5 159.94 29.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.427 0.632 . . . . 0.0 112.401 -173.084 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.33 -49.2 78.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.734 -175.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.6 -43.22 97.67 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -173.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.838 ' HB2' HD11 ' A' ' 42' ' ' LEU . 2.0 mm100 -66.77 -37.89 85.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.875 0.369 . . . . 0.0 110.175 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 m -65.44 -43.0 91.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.549 176.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.69 ' HA ' HD11 ' A' ' 33' ' ' LEU . 3.4 tt0 -62.19 -51.47 67.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.871 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -54.96 -36.24 65.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.756 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.606 ' CH2' ' HG3' ' A' ' 54' ' ' ARG . 81.3 t90 -77.11 -51.18 11.48 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.509 -177.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.473 ' CD2' ' HD1' ' A' ' 21' ' ' PHE . 14.1 m-85 -63.03 -33.33 75.19 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.69 0.281 . . . . 0.0 110.567 -175.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -69.98 -36.46 75.21 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.995 0.426 . . . . 0.0 110.239 176.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -40.98 96.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.848 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.606 ' HG3' ' CH2' ' A' ' 50' ' ' TRP . 7.2 mmm180 -71.43 -26.11 62.6 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 120.753 0.311 . . . . 0.0 110.335 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.0 tp -67.92 -32.47 72.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.135 0.493 . . . . 0.0 110.095 177.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.34 -38.3 63.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.074 174.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -65.45 -38.79 90.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.803 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.478 ' CE2' ' HE3' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -55.57 -36.56 66.98 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.228 -177.672 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.753 ' HA ' HD12 ' A' ' 64' ' ' LEU . 12.3 mtt180 -64.07 -28.6 69.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.649 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -33.7 28.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.589 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -51.69 28.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.884 0.373 . . . . 0.0 110.91 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' HG3' ' CD1' ' A' ' 58' ' ' TRP . 4.9 mt-10 -74.33 -12.69 60.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.79 50.02 55.87 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.907 -0.664 . . . . 0.0 111.748 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' ' 59' ' ' ARG . 27.4 mt -81.44 157.15 70.59 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.86 -0.17 . . . . 0.0 110.678 -176.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.29 89.44 0.16 Allowed 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.615 2.21 . . . . 0.0 111.501 176.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.6 m -154.0 29.69 0.46 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.244 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.49 -58.37 2.58 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 175.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.2 p -90.25 -174.47 4.19 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 170.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 -84.69 85.76 7.4 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.428 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.48 81.89 1.47 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.447 175.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.9 t -92.6 105.42 16.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 120.766 0.317 . . . . 0.0 110.737 -176.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.12 75.17 10.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.294 0.569 . . . . 0.0 110.264 177.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.245 0.817 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.604 -179.057 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 tpp . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.98 52.79 1.83 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.55 0.69 . . . . 0.0 110.122 176.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.7 117.31 33.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.74 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.5 pm0 -76.36 102.01 5.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.541 0.686 . . . . 0.0 110.211 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.63 -46.99 3.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.536 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.92 -11.72 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.235 0.541 . . . . 0.0 110.531 178.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.54 142.75 30.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.166 178.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.405 ' HA3' ' HD3' ' A' ' 9' ' ' PRO . . . -126.96 -130.04 3.33 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.38 -178.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.405 ' HD3' ' HA3' ' A' ' 8' ' ' GLY . 12.0 Cg_exo -69.57 115.93 4.3 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.955 2.437 . . . . 0.0 112.379 -177.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.37 -180.0 6.64 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.812 178.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.62 -46.04 77.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.959 0.409 . . . . 0.0 110.871 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -62.28 -40.56 96.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.747 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.774 ' HG3' HD11 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -71.64 -35.42 70.4 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.974 -177.211 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.8 t -58.31 -31.28 42.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.588 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.73 -47.65 71.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.35 0.595 . . . . 0.0 110.317 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.8 mt -64.43 -34.06 66.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.468 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -71.78 -49.16 41.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.092 -179.788 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -59.54 -48.19 82.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.513 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.1 t80 -54.05 -43.51 70.29 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.982 0.42 . . . . 0.0 110.325 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.526 ' O ' HG12 ' A' ' 24' ' ' VAL . 4.8 m-80 -69.29 -59.35 3.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.895 -178.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.447 ' CB ' ' HZ3' ' A' ' 50' ' ' TRP . 22.5 t80 -55.5 -41.16 72.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.796 -173.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -81.46 -5.79 58.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.707 0.289 . . . . 0.0 111.614 -176.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -104.27 -68.39 0.85 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.358 -178.452 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.72 HG11 HG21 ' A' ' 32' ' ' THR . 1.1 p -64.48 -65.57 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.265 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -172.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.521 ' H ' HG13 ' A' ' 24' ' ' VAL . 16.9 t30 -172.52 141.46 1.15 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -171.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -75.86 -21.96 56.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.982 0.42 . . . . 0.0 111.251 -175.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.536 ' HD2' ' HD2' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -89.17 132.53 37.43 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.303 178.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.536 ' HD2' ' HD2' ' A' ' 27' ' ' HIS . 36.8 Cg_exo -61.74 88.62 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.034 2.489 . . . . 0.0 112.406 178.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -83.24 147.82 54.48 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.731 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -64.65 -32.54 57.57 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.871 2.38 . . . . 0.0 112.046 -177.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -47.09 85.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.925 179.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.72 HG21 HG11 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -78.44 -45.41 22.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.284 -177.006 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.0 mt -54.48 -62.41 1.67 Allowed 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -168.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.58 -32.1 72.61 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -173.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.573 ' HG ' ' N ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -75.58 -47.72 25.48 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.141 -0.223 . . . . 0.0 110.944 -175.781 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.573 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 1.4 pt -78.45 -25.46 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.082 -176.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.419 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -61.17 -50.39 73.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.721 0.296 . . . . 0.0 110.452 176.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.9 92.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.726 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.91 -39.52 79.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.022 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -90.39 15.41 10.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.047 -176.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 61.71 23.68 63.41 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.756 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.774 HD11 ' HG3' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -107.96 -178.76 3.7 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 122.77 0.428 . . . . 0.0 110.026 -178.499 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.02 164.31 16.32 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 174.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -55.63 -49.21 73.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.823 -175.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -61.04 -45.13 96.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.839 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.483 ' HB3' HD23 ' A' ' 42' ' ' LEU . 32.4 mt-30 -55.29 -53.17 59.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.574 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.479 HG23 HD11 ' A' ' 17' ' ' LEU . 1.6 m -62.86 -44.82 95.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.296 -177.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.33 -43.59 85.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.939 -178.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -63.88 -30.91 71.95 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.616 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 85.1 t90 -79.77 -48.98 12.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.435 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -54.71 -47.85 73.21 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.184 0.516 . . . . 0.0 110.561 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -29.96 69.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.563 -177.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.511 ' NE2' ' HA ' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -75.46 -32.57 60.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.742 -177.51 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' A' ' 50' ' ' TRP . 10.6 mmm180 -80.56 -18.17 49.17 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.665 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -49.09 69.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.018 0.437 . . . . 0.0 110.876 178.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 60' ' ' ARG . . . -68.4 -29.47 68.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.881 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 3.8 mm-40 -72.99 -46.06 54.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.915 -179.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -55.9 -45.39 78.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.325 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -28.64 64.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.209 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -75.57 -40.23 56.97 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.491 0.186 . . . . 0.0 111.163 -178.824 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.1 m -73.27 -52.98 12.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.625 0.25 . . . . 0.0 111.148 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -73.17 -25.77 60.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.962 -176.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 60.93 38.59 95.68 Favored Glycine 0 C--N 1.333 0.395 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 -177.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.486 ' O ' ' HG ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -102.56 136.77 19.29 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 121.003 0.43 . . . . 0.0 111.364 -171.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -88.66 -159.8 0.09 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.129 2.553 . . . . 0.0 111.423 176.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.446 ' H ' ' HB3' ' A' ' 69' ' ' ARG . 3.9 m -113.44 159.66 19.25 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -39.53 68.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.9 0.381 . . . . 0.0 111.621 -178.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.84 7.2 41.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.19 -178.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.446 ' HB3' ' H ' ' A' ' 66' ' ' SER . 14.0 tpp85 -118.97 148.52 42.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.596 -176.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.1 167.95 14.97 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.68 175.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.5 p -53.89 138.6 13.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.54 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.21 79.15 1.29 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.324 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--N 1.317 -0.816 0 CA-C-O 118.653 -0.689 . . . . 0.0 109.637 178.73 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.213 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.71 121.13 11.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.757 -172.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.75 153.5 38.16 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.751 174.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.67 89.07 2.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.988 0.423 . . . . 0.0 111.071 -177.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.71 -65.5 1.0 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 177.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 t -92.63 89.38 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.021 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.16 62.14 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.288 0.566 . . . . 0.0 110.269 175.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.79 118.27 0.78 Allowed Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.364 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.21 153.08 72.02 Favored 'Trans proline' 0 C--O 1.233 0.252 0 C-N-CA 122.748 2.299 . . . . 0.0 113.011 -178.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.79 168.94 19.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.617 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.22 -49.19 78.8 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -175.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -66.91 -29.81 69.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.161 0.505 . . . . 0.0 110.755 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -72.84 -37.58 67.37 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.008 175.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.5 t -63.76 -30.33 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.823 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -55.39 -43.46 75.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 0.0 110.612 176.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.0 mt -67.02 -36.21 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.997 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.425 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -68.79 -50.2 52.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.991 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.98 -37.93 86.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.9 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.497 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 72.9 t80 -65.67 -44.78 85.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.169 177.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.7 -48.35 72.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.39 -177.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.532 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 60.1 t80 -58.54 -36.64 74.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.978 0.418 . . . . 0.0 110.91 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -85.02 -12.49 53.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.969 0.414 . . . . 0.0 111.027 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 5.7 tmtt? -95.54 -36.65 11.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.172 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.539 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 35.1 m -71.65 -23.23 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 121.029 0.443 . . . . 0.0 110.698 177.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.539 ' HB2' ' O ' ' A' ' 24' ' ' VAL . 1.0 OUTLIER 84.5 70.63 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.488 178.711 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' O ' ' HD3' ' A' ' 28' ' ' PRO . 2.8 mmtt 70.55 -80.67 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.484 175.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -102.03 108.27 55.92 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 120.687 0.28 . . . . 0.0 111.216 -173.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 26' ' ' LYS . 84.6 Cg_endo -90.02 177.09 2.58 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 122.923 2.415 . . . . 0.0 112.316 176.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.39 158.03 64.11 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.32 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -53.95 -42.54 65.85 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.379 2.053 . . . . 0.0 111.191 170.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -37.09 79.34 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.051 176.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.537 HG22 HD13 ' A' ' 36' ' ' ILE . 17.0 m -61.09 -48.17 82.9 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.018 177.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.5 mt -55.9 -44.7 78.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.86 -177.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.0 m -72.75 -38.18 67.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.19 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.1 -48.01 54.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.803 0.335 . . . . 0.0 111.27 -177.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.537 HD13 HG22 ' A' ' 32' ' ' THR . 5.4 pt -69.27 -25.26 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.918 -178.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.85 -52.93 62.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.868 0.366 . . . . 0.0 110.318 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.89 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.957 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -69.86 -45.31 68.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.012 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.45 -18.46 48.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.609 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.06 29.49 17.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.913 -178.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 42' ' ' LEU . 13.4 mt -115.78 161.01 19.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.704 0.288 . . . . 0.0 110.463 -176.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.26 154.41 40.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.649 173.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -48.89 -45.21 40.84 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.57 172.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 4.4 mm-40 -63.96 -39.92 95.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.286 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -61.68 -49.02 78.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.028 -176.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.407 ' O ' ' HD1' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -67.07 -48.72 67.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.794 -179.647 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -59.14 -47.72 84.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.224 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 4.3 mptt -61.89 -44.61 96.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.781 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.539 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 88.2 t90 -68.35 -52.29 34.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.301 -177.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.408 ' CD2' ' HD2' ' A' ' 21' ' ' PHE . 20.2 m-85 -58.81 -39.4 81.03 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.841 0.353 . . . . 0.0 110.512 -176.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -41.5 97.26 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.624 177.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.6 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -60.8 -43.89 97.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.42 -179.414 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 50' ' ' TRP . 9.6 mmm180 -71.32 -28.33 64.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.987 -177.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 tp -63.08 -44.96 94.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.044 0.45 . . . . 0.0 110.369 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.93 89.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.659 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.6 ' HG3' ' O ' ' A' ' 53' ' ' GLN . 24.1 mt-10 -67.8 -47.96 67.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.754 178.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.405 ' CE3' ' HG3' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -55.4 -42.86 74.65 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.255 -175.803 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.405 ' HG3' ' CE3' ' A' ' 58' ' ' TRP . 0.1 OUTLIER -60.58 -27.23 67.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.021 -178.672 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.75 -33.98 27.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.583 0.23 . . . . 0.0 110.583 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.49 -58.86 3.01 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.842 0.353 . . . . 0.0 111.38 -178.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -73.72 -35.07 65.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.332 -178.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.2 124.2 0.52 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.231 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 46.0 mt -69.46 130.42 90.75 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.623 ' HB2' HG13 ' A' ' 71' ' ' VAL . 5.7 Cg_exo -79.21 11.19 2.7 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 123.0 2.467 . . . . 0.0 112.572 -178.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 37.0 m 70.15 179.0 0.25 Allowed 'General case' 0 C--O 1.233 0.215 0 O-C-N 123.714 0.634 . . . . 0.0 111.506 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.62 -44.96 1.65 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.778 178.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -14.98 55.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.592 179.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -99.34 158.4 15.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.896 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.78 112.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 178.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.623 HG13 ' HB2' ' A' ' 65' ' ' PRO . 84.6 t -69.57 110.3 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.739 177.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -139.25 150.76 45.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.957 0.408 . . . . 0.0 111.339 -176.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.6 t70 . . . . . 0 C--O 1.248 1.017 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.109 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttt . . . . . 0 N--CA 1.467 0.379 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.65 -39.57 4.01 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.114 0.483 . . . . 0.0 110.128 176.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.08 -31.25 23.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.319 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.97 122.17 37.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.465 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.84 -74.7 0.33 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.428 0.632 . . . . 0.0 109.505 176.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.74 -82.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.935 174.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 56.15 58.8 4.07 Favored 'General case' 0 C--O 1.232 0.17 0 O-C-N 123.837 0.71 . . . . 0.0 111.502 175.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -126.17 -156.52 9.28 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.727 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -79.0 136.44 13.09 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.545 2.163 . . . . 0.0 112.371 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -77.47 166.99 22.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.346 177.566 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -59.04 -39.3 81.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.854 0.359 . . . . 0.0 110.724 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -35.88 81.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.957 177.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.514 HE22 ' HB1' ' A' ' 40' ' ' ALA . 10.1 tp-100 -73.01 -37.68 66.87 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.863 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 10' ' ' THR . 54.8 t -59.84 -34.46 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.447 177.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -58.3 -40.56 82.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.096 0.474 . . . . 0.0 110.751 176.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.476 HG21 ' HB2' ' A' ' 40' ' ' ALA . 10.2 mt -73.96 -44.55 50.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.113 177.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.565 HD11 HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -64.17 -49.72 70.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.015 -176.195 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.51 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.8 OUTLIER -59.61 -41.04 89.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.352 . . . . 0.0 110.984 -176.672 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.546 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -65.1 -47.73 76.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.865 177.43 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.633 ' O ' HG12 ' A' ' 24' ' ' VAL . 1.5 m-80 -65.0 -54.83 24.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.368 -175.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.46 ' CB ' ' HZ3' ' A' ' 50' ' ' TRP . 36.7 t80 -54.96 -43.25 73.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.811 -173.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.84 -13.11 59.24 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.701 -0.399 . . . . 0.0 111.07 -178.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.546 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 3.8 tmtt? -94.3 -63.41 1.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.748 -176.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.633 HG12 ' O ' ' A' ' 20' ' ' ASN . 1.5 p -64.63 -61.34 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.174 -173.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.493 ' H ' HG13 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -171.11 143.08 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -178.371 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -23.05 59.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.298 0.571 . . . . 0.0 109.976 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -89.7 128.87 48.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.136 176.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -61.88 104.06 0.31 Allowed 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.949 2.433 . . . . 0.0 112.869 -178.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.449 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 4.3 t70 -80.58 144.93 57.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.653 174.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 29' ' ' ASP . 1.0 OUTLIER -74.08 -47.22 0.26 Allowed 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 123.202 2.601 . . . . 0.0 111.376 -178.54 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -44.25 95.65 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.55 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.519 ' O ' HG12 ' A' ' 36' ' ' ILE . 29.5 m -61.8 -44.9 95.94 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.898 177.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.6 HD22 ' HB ' ' A' ' 47' ' ' THR . 10.9 mt -55.35 -55.41 31.9 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.228 0.33 . . . . 0.0 111.198 -178.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.0 m -61.4 -42.15 98.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.285 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.1 -50.19 62.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.517 -177.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 32' ' ' THR . 20.7 pt -73.92 -27.35 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.526 -176.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -67.48 -40.21 85.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.004 0.43 . . . . 0.0 110.022 176.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.27 94.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.201 175.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.57 -48.66 74.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.523 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.514 ' HB1' HE22 ' A' ' 13' ' ' GLN . . . -81.51 -5.45 57.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.143 -175.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.14 45.32 56.66 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 121.118 -0.563 . . . . 0.0 113.087 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.876 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -146.94 168.85 20.46 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.086 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.553 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 3.2 p -87.07 143.27 27.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.958 0.408 . . . . 0.0 111.598 -175.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -53.21 -41.35 65.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.981 -174.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -44.15 79.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.424 -176.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.876 ' HB2' HD11 ' A' ' 42' ' ' LEU . 4.8 mt-30 -70.22 -35.6 73.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.337 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.6 ' HB ' HD22 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -61.81 -44.52 96.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.184 0.516 . . . . 0.0 110.099 175.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -43.95 91.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.534 177.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -57.83 -43.12 85.61 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.462 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.598 ' CZ3' ' HG3' ' A' ' 54' ' ' ARG . 69.6 t90 -70.52 -47.04 62.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.8 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -56.05 -44.05 78.47 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.201 0.524 . . . . 0.0 110.13 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -40.9 97.37 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.455 -179.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.55 -32.43 73.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.887 0.375 . . . . 0.0 110.568 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.598 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 0.9 OUTLIER -73.67 -35.83 65.27 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.568 179.027 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.1 tp -53.64 -41.1 66.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.568 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.82 -49.33 47.53 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.988 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -63.5 -37.61 87.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.412 -177.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 8.1 t90 -58.62 -48.43 81.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.93 0.395 . . . . 0.0 110.788 -178.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -66.02 -37.73 86.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.71 -176.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.51 -61.65 1.74 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.878 0.37 . . . . 0.0 111.884 -178.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.6 m -75.64 -53.14 9.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.125 -172.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -66.46 -35.57 80.62 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.212 0.53 . . . . 0.0 109.793 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.61 158.06 33.87 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.95 173.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.712 HD13 ' HD2' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -109.98 126.89 28.07 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 175.073 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.712 ' HD2' HD13 ' A' ' 64' ' ' LEU . 70.9 Cg_endo -73.68 49.64 1.87 Allowed 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 123.224 2.616 . . . . 0.0 113.159 -175.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.32 137.91 31.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.99 177.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.79 -178.66 6.65 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -178.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.38 -23.4 46.82 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 173.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -84.77 -174.96 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.616 172.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -176.94 0.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.852 175.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.3 p -57.28 118.15 1.79 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 121.187 0.517 . . . . 0.0 110.203 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.91 77.79 5.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.185 -172.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.3 t70 . . . . . 0 C--O 1.246 0.873 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.35 176.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.522 -0.123 0 CA-C-O 121.319 0.581 . . . . 0.0 109.461 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -23.45 59.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.909 174.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -114.65 -179.31 3.59 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.957 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.44 141.57 24.99 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.248 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m 55.98 69.74 0.71 Allowed 'General case' 0 C--N 1.331 -0.225 0 O-C-N 123.677 0.611 . . . . 0.0 110.857 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -96.08 -34.5 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.947 -175.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 m 61.03 -160.84 0.3 Allowed 'General case' 0 CA--C 1.534 0.349 0 O-C-N 123.577 0.548 . . . . 0.0 110.843 -175.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.34 -171.98 50.47 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.493 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -88.11 135.36 3.26 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 123.313 2.675 . . . . 0.0 112.199 177.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.483 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -78.15 178.21 7.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.958 0.408 . . . . 0.0 111.357 179.689 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -56.96 -39.1 73.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.983 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -65.73 -36.33 83.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.114 0.483 . . . . 0.0 110.531 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -72.31 -35.72 68.73 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.191 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 10' ' ' THR . 79.0 t -60.66 -36.18 68.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.503 177.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.86 -46.66 84.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.904 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.14 -42.05 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-O 121.01 0.434 . . . . 0.0 110.274 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -61.19 -48.15 82.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.284 179.648 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.526 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 1.0 OUTLIER -59.64 -37.35 78.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.118 -177.832 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.409 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 48.1 t80 -64.14 -49.86 70.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.679 ' O ' HG12 ' A' ' 24' ' ' VAL . 79.5 m-20 -60.8 -57.61 11.94 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.366 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.466 ' HE1' HD23 ' A' ' 55' ' ' LEU . 20.6 t80 -54.8 -40.64 69.7 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.351 0.407 . . . . 0.0 111.581 -173.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -70.18 -33.56 71.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.04 0.447 . . . . 0.0 111.254 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -89.56 -45.79 9.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.19 -172.34 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.705 HG21 HG21 ' A' ' 32' ' ' THR . 6.7 p -69.25 -66.47 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -172.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.569 ' H ' HG13 ' A' ' 24' ' ' VAL . 1.7 t-20 -174.68 153.05 1.72 Allowed 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 111.171 -172.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -71.13 -33.61 70.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.898 170.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -122.58 81.13 47.5 Favored Pre-proline 0 N--CA 1.453 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.29 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.549 ' HG2' ' CD2' ' A' ' 51' ' ' PHE . 3.8 Cg_exo -82.15 144.76 13.43 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 123.22 2.614 . . . . 0.0 112.318 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.3 160.25 65.64 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.313 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.474 ' HA ' ' HB2' ' A' ' 33' ' ' LEU . 64.8 Cg_exo -54.85 -28.93 60.7 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.835 2.356 . . . . 0.0 112.14 173.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -45.76 93.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.105 176.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.705 HG21 HG21 ' A' ' 24' ' ' VAL . 9.7 m -61.71 -43.33 99.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.996 174.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.807 HD21 ' HB2' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -55.76 -45.98 77.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.231 -179.362 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.1 m -56.26 -51.48 67.99 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -177.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.608 HD12 HG23 ' A' ' 36' ' ' ILE . 0.4 OUTLIER -70.47 -39.07 74.48 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.825 -174.154 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.608 HG23 HD12 ' A' ' 35' ' ' LEU . 15.3 pt -74.74 -32.77 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.918 -178.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.41 88.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.757 0.313 . . . . 0.0 110.16 177.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.65 -36.18 81.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.968 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.85 -47.1 69.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.93 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.86 -22.38 49.94 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.917 -176.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.28 0.91 61.15 Favored Glycine 0 N--CA 1.453 -0.177 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -176.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -78.52 177.85 8.22 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.678 -0.761 . . . . 0.0 111.43 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.73 177.92 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.411 174.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -55.98 -50.24 71.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.994 -178.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -63.91 -49.23 73.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.268 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -57.04 -50.23 73.37 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.438 -178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.6 m -61.47 -46.58 89.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.262 -176.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.807 ' HB2' HD21 ' A' ' 33' ' ' LEU . 5.6 tp-100 -66.35 -42.98 87.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.808 0.337 . . . . 0.0 110.623 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.76 -45.72 91.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.663 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.53 ' CH2' ' HG3' ' A' ' 54' ' ' ARG . 78.3 t90 -67.24 -46.36 74.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.005 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.549 ' CD2' ' HG2' ' A' ' 28' ' ' PRO . 5.1 m-85 -58.47 -42.74 88.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.388 . . . . 0.0 110.133 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.562 ' HA ' ' HB2' ' A' ' 55' ' ' LEU . 1.5 tptt -70.96 -29.16 65.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 178.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -36.89 82.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.054 177.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.53 ' HG3' ' CH2' ' A' ' 50' ' ' TRP . 1.2 mmt180 -80.03 -24.41 40.77 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.562 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -58.54 -44.66 89.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.782 174.342 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.22 -40.69 96.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.347 175.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 4.1 mm-40 -59.73 -49.22 78.58 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.597 177.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -60.46 -46.66 89.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.359 . . . . 0.0 110.381 178.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -36.75 81.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.647 -177.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 57' ' ' GLU . 17.0 ptt180 -82.46 -23.56 34.69 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.226 179.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.1 m -69.74 -61.45 1.78 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.605 0.241 . . . . 0.0 110.93 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.47 -35.83 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.372 . . . . 0.0 111.429 -175.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.76 167.34 43.4 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.402 -174.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.461 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 1.3 mp -119.64 136.34 24.68 Favored Pre-proline 0 C--N 1.32 -0.705 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.477 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 8.0 Cg_exo -71.39 60.41 2.61 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.962 2.442 . . . . 0.0 112.264 177.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.5 m -149.06 151.66 34.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.375 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -175.6 94.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.3 m 71.47 -48.9 0.68 Allowed 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.731 0.644 . . . . 0.0 110.488 -173.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -85.74 170.93 12.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.768 174.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.9 m -75.48 -174.85 2.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.124 0.487 . . . . 0.0 111.547 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -69.35 126.13 28.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.217 -178.721 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.59 74.71 6.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.005 0.431 . . . . 0.0 109.916 173.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.8 t70 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.339 -0.839 . . . . 0.0 109.405 178.644 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.222 0 CA-C-O 120.637 0.256 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.502 ' HB2' HG23 ' A' ' 5' ' ' THR . 0.6 OUTLIER -64.57 130.57 44.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.915 0.388 . . . . 0.0 111.544 -178.433 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.33 -51.02 63.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.282 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.82 87.97 7.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.234 0.54 . . . . 0.0 110.018 179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.502 HG23 ' HB2' ' A' ' 2' ' ' SER . 0.0 OUTLIER -120.12 -42.76 2.57 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.083 -178.734 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.404 ' H ' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -57.09 -59.34 3.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.007 -177.585 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.8 m -141.1 169.15 18.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.589 -176.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.63 -153.48 6.65 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 177.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -65.82 107.04 1.02 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.66 2.24 . . . . 0.0 111.848 178.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -74.99 172.03 13.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.968 -178.597 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.29 -49.74 75.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 111.395 -176.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -66.26 -26.76 67.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.07 0.462 . . . . 0.0 110.594 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.587 ' NE2' ' HB1' ' A' ' 40' ' ' ALA . 47.9 tp60 -72.72 -40.08 66.42 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.506 177.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 10' ' ' THR . 62.3 t -65.99 -31.88 55.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.988 178.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -54.24 -35.25 62.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 176.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.4 mt -83.73 -46.58 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-O 121.11 0.481 . . . . 0.0 109.925 177.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -59.01 -45.92 89.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.939 -176.089 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.498 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 1.0 OUTLIER -58.32 -47.2 84.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.096 0.474 . . . . 0.0 110.256 179.339 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.587 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.7 t80 -60.14 -42.56 95.09 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.683 178.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.753 ' O ' HG12 ' A' ' 24' ' ' VAL . 7.9 m120 -58.37 -60.3 4.0 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.692 176.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -57.42 -46.6 83.35 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.263 -171.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -80.65 -11.17 59.68 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.771 -174.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.587 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -95.72 -35.88 11.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.515 0.198 . . . . 0.0 111.439 -179.846 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.88 HG21 HG21 ' A' ' 32' ' ' THR . 1.6 p -78.56 -65.37 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.288 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.53 ' H ' HG13 ' A' ' 24' ' ' VAL . 18.1 t30 171.08 150.8 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -170.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -67.45 -19.11 65.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.015 0.436 . . . . 0.0 111.227 -176.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -113.43 108.88 51.75 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 120.973 0.416 . . . . 0.0 111.074 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.24 117.13 4.97 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.748 2.299 . . . . 0.0 112.59 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.55 162.06 54.51 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -52.46 -44.55 46.18 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.464 2.109 . . . . 0.0 112.173 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -39.29 92.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.967 178.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.88 HG21 HG21 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -69.03 -47.31 65.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.418 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.3 mt -58.09 -46.05 86.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.295 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.93 -41.62 99.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.838 -176.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -38.07 47.93 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.62 0.248 . . . . 0.0 110.689 -177.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.603 HD12 HG22 ' A' ' 32' ' ' THR . 7.2 mt -71.01 -41.91 76.85 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.096 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.382 -178.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -59.95 -39.94 87.29 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 175.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.45 -49.11 74.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.624 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -61.99 -48.01 82.25 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.587 ' HB1' ' NE2' ' A' ' 13' ' ' GLN . . . -77.52 -22.58 50.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.8 -176.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.91 -15.97 57.76 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.885 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.441 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 4.5 mp -70.71 165.57 22.69 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 123.25 0.62 . . . . 0.0 112.365 178.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.45 162.96 16.18 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 170.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -56.45 -43.67 79.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.435 0.459 . . . . 0.0 112.004 -176.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -57.52 -41.32 80.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.16 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -72.11 -37.08 69.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.132 -177.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.456 HG21 HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -70.28 -43.33 70.67 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.668 -179.231 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -61.5 -42.61 99.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.604 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.17 -33.62 76.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.843 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.498 ' HH2' ' HA ' ' A' ' 18' ' ' GLU . 80.3 t90 -77.77 -46.81 20.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.751 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -59.26 -39.38 82.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.984 0.421 . . . . 0.0 110.118 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -66.57 -26.91 67.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.079 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -36.19 77.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.008 0.432 . . . . 0.0 109.9 177.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.448 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 3.2 mmp_? -77.22 -23.86 51.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.678 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.489 HD12 ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -58.45 -40.02 81.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.185 0.517 . . . . 0.0 109.729 175.343 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.92 -35.12 74.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.814 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.455 ' HG3' ' HG2' ' A' ' 60' ' ' ARG . 1.0 OUTLIER -82.98 -29.44 29.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.379 -178.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.562 ' HD1' ' HG3' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -55.34 -31.81 62.0 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.155 0.502 . . . . 0.0 110.769 -177.128 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 1.0 ' HA ' HD23 ' A' ' 64' ' ' LEU . 27.5 mtp180 -66.23 -30.79 71.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.854 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.455 ' HG2' ' HG3' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -83.61 -29.23 27.91 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.106 -0.238 . . . . 0.0 111.149 179.209 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.418 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -81.21 -51.27 8.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.762 0.315 . . . . 0.0 111.304 -178.187 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.562 ' HG3' ' HD1' ' A' ' 58' ' ' TRP . 5.3 mm-40 -85.36 -19.07 31.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.513 -175.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.13 91.68 1.34 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.51 -0.853 . . . . 0.0 113.027 176.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.0 HD23 ' HA ' ' A' ' 59' ' ' ARG . 3.3 mm? -113.88 157.23 42.45 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 175.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.616 ' HB2' ' HB ' ' A' ' 71' ' ' VAL . 38.5 Cg_exo -62.94 97.87 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.715 2.277 . . . . 0.0 112.743 178.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 m 69.3 147.34 0.06 Allowed 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.603 0.716 . . . . 0.0 112.37 177.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.96 -32.97 7.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.855 179.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.8 m -65.82 -61.46 2.05 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.006 0.431 . . . . 0.0 110.053 177.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.77 147.59 22.74 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 175.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.9 m -90.11 83.28 6.04 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.276 0.56 . . . . 0.0 110.395 -178.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.616 ' HB ' ' HB2' ' A' ' 65' ' ' PRO . 1.4 t -94.64 162.34 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.52 177.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.7 172.54 10.23 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.638 -175.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.139 -179.672 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.455 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.45 -174.57 3.54 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.759 -177.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.27 -49.87 52.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.354 0.597 . . . . 0.0 109.863 175.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -96.07 94.94 7.84 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.379 176.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.454 ' HB ' ' H ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 43.96 -116.83 0.49 Allowed 'General case' 0 CA--C 1.533 0.308 0 O-C-N 123.776 0.672 . . . . 0.0 110.913 -175.161 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.454 ' H ' ' HB ' ' A' ' 5' ' ' THR . 1.8 t -125.04 42.31 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 172.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.53 47.83 8.13 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.975 -175.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 128.36 -130.92 6.75 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.583 -177.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -78.08 172.87 14.79 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 123.164 2.576 . . . . 0.0 112.036 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.47 163.66 27.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.34 178.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -36.47 81.92 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.85 -40.52 88.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.353 175.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.46 ' HA ' HD12 ' A' ' 16' ' ' ILE . 4.6 tp-100 -72.49 -39.1 67.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.871 178.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 t -57.92 -34.94 49.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.358 176.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.33 -42.38 98.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.294 177.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 13' ' ' GLN . 26.8 mt -66.22 -47.08 85.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.397 0.618 . . . . 0.0 109.444 178.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.606 HD11 HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -58.48 -46.95 85.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.112 178.061 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.45 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 17.1 tp10 -58.18 -43.76 87.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -63.8 -48.83 75.27 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 177.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.42 ' O ' HG12 ' A' ' 24' ' ' VAL . 1.6 m120 -56.44 -59.76 4.51 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.804 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -54.15 -46.38 72.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.288 -174.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -64.61 -44.94 88.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.688 -176.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -92.93 -35.53 13.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.98 0.734 . . . . 0.0 112.98 -170.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.445 HG21 ' CG2' ' A' ' 32' ' ' THR . 5.4 p -68.21 -43.2 84.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -169.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 178.71 -17.4 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -175.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm 73.35 -56.39 0.66 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.169 0.588 . . . . 0.0 110.136 -173.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.461 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -72.5 127.61 89.77 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.489 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.788 ' HG3' ' HB3' ' A' ' 51' ' ' PHE . 12.4 Cg_exo -70.45 84.89 0.74 Allowed 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 123.061 2.507 . . . . 0.0 112.539 -178.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.24 138.07 64.45 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 176.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -58.09 -39.52 84.85 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 123.141 2.561 . . . . 0.0 112.71 -174.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.37 -46.29 90.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.967 0.413 . . . . 0.0 110.494 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.445 ' CG2' HG21 ' A' ' 24' ' ' VAL . 55.0 m -61.89 -46.34 89.81 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.12 176.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.0 mt -55.44 -51.31 67.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.126 -172.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.409 ' HA ' ' CG ' ' A' ' 44' ' ' GLU . 12.3 m -62.68 -36.73 83.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.717 0.294 . . . . 0.0 111.567 -177.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 35' ' ' LEU . 14.7 mt -77.23 -50.36 13.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.567 -176.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 37' ' ' ALA . 4.3 pt -72.56 -27.91 26.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.589 -174.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.449 ' N ' HG13 ' A' ' 36' ' ' ILE . . . -61.44 -44.86 96.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.979 0.419 . . . . 0.0 110.156 177.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.97 -39.75 94.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.564 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -64.51 -42.84 95.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.164 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.77 -22.43 50.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.37 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.38 30.74 15.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.793 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.6 tp -123.49 162.49 22.78 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -177.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.6 p -84.82 151.15 24.54 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.334 -0.546 . . . . 0.0 109.934 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.409 ' CG ' ' HA ' ' A' ' 34' ' ' CYS . 36.9 mp0 -55.4 -42.72 74.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.022 -178.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -61.4 -43.89 98.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.181 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -65.95 -45.47 81.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.979 0.418 . . . . 0.0 110.367 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.606 HG23 HD11 ' A' ' 17' ' ' LEU . 3.0 m -59.18 -43.79 92.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.425 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -41.34 99.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.638 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -43.64 98.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.982 0.42 . . . . 0.0 110.833 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.602 ' CZ3' ' HG3' ' A' ' 54' ' ' ARG . 69.5 t90 -67.06 -45.75 76.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.463 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.788 ' HB3' ' HG3' ' A' ' 28' ' ' PRO . 2.5 m-85 -56.48 -40.82 75.55 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.178 0.513 . . . . 0.0 110.253 178.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -61.15 -42.26 98.24 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.819 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -32.99 71.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.702 0.287 . . . . 0.0 111.013 -176.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.602 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 0.3 OUTLIER -70.17 -38.23 75.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.739 0.304 . . . . 0.0 110.344 177.364 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 tp -59.67 -41.73 91.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.642 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' ' 60' ' ' ARG . . . -65.15 -45.77 83.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.596 177.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -63.81 -43.49 96.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.867 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -55.5 -43.06 75.28 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.852 -177.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.9 mtm-85 -64.25 -24.47 67.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 26.0 mtm-85 -83.5 -50.22 8.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.35 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -52.74 12.28 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -175.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -71.31 -35.3 71.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.987 0.422 . . . . 0.0 109.898 -178.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.06 156.04 27.06 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.277 178.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.796 HD13 ' HD2' ' A' ' 65' ' ' PRO . 0.3 OUTLIER -119.89 134.37 23.95 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.054 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.796 ' HD2' HD13 ' A' ' 64' ' ' LEU . 61.4 Cg_endo -73.46 69.49 4.21 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.539 2.159 . . . . 0.0 111.682 175.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.92 -48.75 57.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.121 -178.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.43 104.86 13.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.626 -178.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.7 m 63.9 -177.87 0.16 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.85 91.51 8.68 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 173.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.55 165.23 14.18 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.704 -176.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.4 p -100.16 114.43 38.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 173.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.65 145.02 36.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.014 -174.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.173 -0.918 . . . . 0.0 108.94 176.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.879 0.371 . . . . 0.0 110.579 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -55.68 12.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.047 -179.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.33 22.94 6.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.996 0.427 . . . . 0.0 110.78 -177.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -77.38 128.95 35.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.179 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.21 121.03 17.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.051 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.1 t -132.97 127.06 54.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.163 177.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.94 58.9 2.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.678 0.751 . . . . 0.0 110.614 176.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.462 ' HA2' ' NE2' ' A' ' 46' ' ' GLN . . . 167.33 -147.81 12.27 Favored Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.02 -177.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.64 126.83 13.13 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.831 2.354 . . . . 0.0 111.821 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.12 -172.56 2.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.859 178.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -56.45 -49.74 73.72 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.954 0.407 . . . . 0.0 111.506 -175.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 1.8 t70 -72.25 -32.69 66.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.886 0.374 . . . . 0.0 110.897 -177.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 -70.71 -39.54 73.35 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.343 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.7 t -62.65 -35.69 71.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.871 175.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.7 OUTLIER -58.73 -49.55 77.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.847 177.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.1 mt -64.81 -38.03 81.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 121.434 0.635 . . . . 0.0 110.153 178.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -65.49 -48.07 73.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.079 -179.411 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.552 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.4 OUTLIER -61.03 -38.69 87.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.714 179.692 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.474 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 16.4 t80 -58.12 -40.04 80.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.846 176.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -75.23 -48.21 24.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.305 -177.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.591 ' HB2' ' HZ3' ' A' ' 50' ' ' TRP . 84.7 t80 -56.75 -40.18 75.34 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.736 0.303 . . . . 0.0 111.567 -176.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -82.42 -19.93 38.06 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -178.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 3.7 mmtt -94.09 -36.59 12.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.741 0.305 . . . . 0.0 111.397 -178.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.751 HG11 HG21 ' A' ' 32' ' ' THR . 77.2 t -78.57 -80.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.075 178.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.547 HD22 HG12 ' A' ' 24' ' ' VAL . 0.3 OUTLIER 178.07 165.2 0.72 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -176.663 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 13.5 mttt -88.1 33.22 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -172.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.55 129.7 12.04 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.455 176.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -74.52 77.69 2.89 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.444 2.096 . . . . 0.0 112.152 176.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.22 142.51 82.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.505 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -53.04 -39.83 78.47 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.117 2.545 . . . . 0.0 112.871 -177.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.67 -49.37 77.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.042 0.449 . . . . 0.0 111.37 -179.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.751 HG21 HG11 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -70.73 -33.82 71.25 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.244 -178.679 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.535 HD21 ' HG3' ' A' ' 48' ' ' GLN . 2.9 tp -54.75 -51.44 65.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.951 -175.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -36.57 83.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.953 0.406 . . . . 0.0 111.037 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 mt -73.95 -50.28 20.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.43 -176.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.556 HG23 HG22 ' A' ' 32' ' ' THR . 7.0 pt -68.22 -30.96 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -175.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.62 -46.85 77.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.931 0.396 . . . . 0.0 110.493 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.98 -36.59 78.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 178.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -69.24 -39.86 78.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.398 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.15 -13.64 52.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.772 0.32 . . . . 0.0 111.325 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.51 37.66 46.18 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.395 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -136.47 169.01 18.39 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -177.095 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.575 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 18.0 p -88.9 148.49 23.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.273 0.559 . . . . 0.0 112.309 -172.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -48.94 -49.12 41.83 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 114.913 -1.04 . . . . 0.0 113.647 -174.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.575 ' OE2' ' HB ' ' A' ' 43' ' ' THR . 0.1 OUTLIER -53.41 -49.13 67.92 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.426 0.454 . . . . 0.0 111.646 -173.83 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.694 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -67.12 -43.56 82.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.786 -178.179 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.535 HG23 HD11 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -58.48 -50.08 75.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.733 179.532 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.535 ' HG3' HD21 ' A' ' 33' ' ' LEU . 1.8 tt0 -62.17 -47.86 82.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.948 -177.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -63.12 -38.9 92.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.876 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.629 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 84.3 t90 -66.59 -53.57 32.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.07 -178.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.479 ' CZ ' HD12 ' A' ' 36' ' ' ILE . 16.3 m-85 -57.97 -37.47 74.24 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.909 0.385 . . . . 0.0 110.502 -177.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -67.42 -42.01 83.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.697 178.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -36.13 83.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.964 -178.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.629 ' HG2' ' O ' ' A' ' 50' ' ' TRP . 13.3 mmm180 -70.22 -36.59 74.65 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 110.462 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -37.43 87.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.245 178.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.69 85.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.356 175.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.55 -38.56 91.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.968 178.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.439 ' CE3' ' HG2' ' A' ' 59' ' ' ARG . 2.2 t90 -55.16 -42.5 73.22 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.204 -177.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.707 ' HD2' HD12 ' A' ' 64' ' ' LEU . 7.2 mmm180 -62.53 -26.77 68.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.535 -177.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.19 -45.51 14.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.259 178.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.7 -44.21 97.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.979 178.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.429 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 1.1 tp10 -64.61 -29.58 70.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.652 178.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 64.91 54.51 27.63 Favored Glycine 0 C--N 1.333 0.412 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.786 177.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.707 HD12 ' HD2' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -102.25 127.72 30.05 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-O 120.549 0.214 . . . . 0.0 110.563 -179.589 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 64' ' ' LEU . 4.5 Cg_endo -86.99 -76.43 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 122.9 2.4 . . . . 0.0 111.072 174.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.9 m -157.64 109.58 2.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.506 -0.77 . . . . 0.0 108.965 176.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.33 114.16 1.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.279 0.362 . . . . 0.0 111.514 -177.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.7 m 63.79 10.86 5.45 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.323 0.649 . . . . 0.0 112.194 177.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -118.75 -174.32 2.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.443 -177.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.96 116.39 3.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.474 -178.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.4 p -75.42 121.54 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.156 0.503 . . . . 0.0 110.759 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.96 82.31 7.63 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.327 0.584 . . . . 0.0 110.439 178.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.6 t0 . . . . . 0 C--O 1.248 1.014 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.131 -178.029 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 p -131.71 -90.06 0.43 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -136.68 -57.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.519 175.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -84.03 88.35 7.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.493 0.663 . . . . 0.0 109.904 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.62 -56.86 0.24 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.882 178.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 p -131.96 111.98 19.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.362 0.601 . . . . 0.0 110.206 176.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.1 m -149.3 144.79 26.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.938 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.2 -174.57 16.93 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.949 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -83.87 142.89 10.29 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 123.108 2.539 . . . . 0.0 112.592 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.434 ' HB ' ' OD1' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -75.46 168.65 19.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.447 177.619 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.461 ' CD ' ' H ' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -59.5 -41.24 89.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.904 0.383 . . . . 0.0 111.146 -176.076 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.434 ' OD1' ' HB ' ' A' ' 10' ' ' THR . 12.8 p-10 -67.02 -35.34 79.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.698 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.595 ' HA ' HD12 ' A' ' 16' ' ' ILE . 8.2 tp-100 -73.49 -39.06 65.16 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.1 t -59.58 -32.56 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.61 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -47.86 83.84 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.831 0.348 . . . . 0.0 110.354 175.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 13' ' ' GLN . 12.1 mt -65.7 -39.98 86.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.064 178.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.584 HD11 HG23 ' A' ' 47' ' ' THR . 0.2 OUTLIER -64.85 -50.27 67.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.44 -179.129 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.575 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.8 OUTLIER -64.38 -43.46 94.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.623 -177.792 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.58 -49.43 74.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.072 177.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.582 ' O ' HG23 ' A' ' 24' ' ' VAL . 9.3 m-80 -66.24 -47.8 72.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.011 -177.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.473 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 25.5 t80 -55.06 -46.17 75.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.693 -178.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.538 ' OD1' ' HE3' ' A' ' 26' ' ' LYS . 1.2 m-20 -72.8 -36.84 67.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 -178.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -71.75 -40.43 69.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.123 -175.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.675 HG11 HG21 ' A' ' 32' ' ' THR . 86.3 t -68.72 -87.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.904 0.383 . . . . 0.0 111.072 -175.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -158.39 12.32 0.18 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.202 -174.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.538 ' HE3' ' OD1' ' A' ' 22' ' ' ASN . 10.4 mttp 52.97 36.44 21.96 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-O 121.426 0.631 . . . . 0.0 110.724 -174.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.523 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -140.61 131.5 13.78 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.219 -177.14 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.523 ' HD3' ' HA ' ' A' ' 27' ' ' HIS . 6.1 Cg_exo -78.66 68.17 8.2 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 123.03 2.487 . . . . 0.0 112.154 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -77.72 141.41 64.42 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.291 178.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 29' ' ' ASP . 41.0 Cg_exo -56.15 -56.33 2.19 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 123.647 2.898 . . . . 0.0 112.769 -176.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -36.34 73.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.763 -177.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.675 HG21 HG11 ' A' ' 24' ' ' VAL . 21.4 m -76.34 -42.62 44.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.124 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.589 HD11 ' HA ' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -59.2 -43.12 92.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.391 -177.817 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 96.3 m -56.8 -36.68 70.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.419 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -78.24 -41.29 34.68 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.648 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.529 HD11 HG22 ' A' ' 32' ' ' THR . 69.6 mt -63.25 -43.99 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.777 -178.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.27 -35.19 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.046 0.45 . . . . 0.0 110.474 177.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.75 -45.51 51.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.602 177.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -62.94 -46.38 88.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.42 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.35 -23.45 46.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.42 53.18 7.75 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.201 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.619 HD11 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -150.42 165.27 33.65 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -178.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.491 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 1.4 p -72.47 149.41 44.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.227 0.537 . . . . 0.0 112.109 -172.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -57.72 -46.06 84.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.233 -176.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -48.71 75.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.611 -176.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.619 ' HB2' HD11 ' A' ' 42' ' ' LEU . 6.6 mm-40 -59.82 -48.8 80.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.933 0.397 . . . . 0.0 110.375 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.584 HG23 HD11 ' A' ' 17' ' ' LEU . 2.3 m -56.7 -46.34 81.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.251 179.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.589 ' HA ' HD11 ' A' ' 33' ' ' LEU . 1.3 tt0 -65.84 -50.72 63.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.372 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -61.64 -36.82 81.89 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.087 0.47 . . . . 0.0 110.723 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.575 ' HH2' ' HA ' ' A' ' 18' ' ' GLU . 68.6 t90 -68.44 -51.04 48.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.809 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.509 ' CZ ' HD13 ' A' ' 36' ' ' ILE . 5.2 m-85 -57.46 -39.73 76.96 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.397 0.618 . . . . 0.0 110.026 179.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -65.65 -34.89 79.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.546 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.473 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -75.0 -30.87 61.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.602 0.239 . . . . 0.0 111.126 -175.852 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.45 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 1.5 mmp_? -72.46 -19.28 61.59 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.202 -177.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 1.5 mt -56.32 -50.18 72.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.122 -179.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.14 -35.91 76.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.756 0.312 . . . . 0.0 110.778 177.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 53' ' ' GLN . 34.1 mm-40 -62.53 -50.27 72.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.273 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.766 ' HA ' ' HG2' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -59.77 -44.82 93.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.605 -179.391 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.559 ' HA ' HD23 ' A' ' 64' ' ' LEU . 4.7 mtt180 -57.22 -40.52 77.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.405 -178.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -83.59 -61.61 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.482 ' HB2' ' OE2' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -68.22 -51.41 45.71 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -171.231 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.766 ' HG2' ' HA ' ' A' ' 58' ' ' TRP . 3.6 mm-40 -82.8 -36.46 25.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.35 . . . . 0.0 110.701 -174.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.3 166.35 14.95 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.844 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.61 HD13 ' HD2' ' A' ' 65' ' ' PRO . 0.1 OUTLIER -119.67 137.87 26.06 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 -178.641 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.61 ' HD2' HD13 ' A' ' 64' ' ' LEU . 25.7 Cg_endo -63.04 -10.6 21.22 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.959 2.439 . . . . 0.0 112.35 175.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.4 m 65.76 -160.44 0.27 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.92 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 mp0 -77.4 -19.07 56.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.131 0.491 . . . . 0.0 110.417 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.93 161.16 30.42 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.165 177.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -100.65 89.97 4.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.157 0.503 . . . . 0.0 110.368 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.6 m -138.13 131.7 30.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.203 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -83.41 127.75 39.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.051 0.453 . . . . 0.0 111.538 -174.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.22 144.27 29.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.059 175.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.0 t0 . . . . . 0 C--O 1.252 1.236 0 CA-C-O 118.835 -0.603 . . . . 0.0 110.399 -177.207 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 mtp . . . . . 0 N--CA 1.455 -0.214 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.14 -45.88 7.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 166.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -177.78 -168.27 0.17 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.7 175.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.87 90.31 7.85 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 172.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.57 128.19 34.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.301 -177.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.9 t -65.56 123.54 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.247 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.19 106.1 7.61 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.932 -175.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -135.58 77.68 0.36 Allowed Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.491 175.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -73.09 128.41 13.02 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.751 2.301 . . . . 0.0 112.09 -177.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.9 165.88 24.09 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.495 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -57.08 -42.43 80.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.717 0.294 . . . . 0.0 111.204 -177.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.31 -43.81 96.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.644 178.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.556 ' HA ' HD12 ' A' ' 16' ' ' ILE . 4.5 mm100 -69.93 -36.99 75.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.015 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.9 t -62.02 -38.05 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.422 176.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.18 -46.23 88.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 177.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' A' ' 13' ' ' GLN . 21.5 mt -62.59 -36.76 76.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 121.521 0.676 . . . . 0.0 109.687 176.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.681 HD11 HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -68.25 -49.31 61.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.312 -179.146 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.582 ' HA ' ' HH2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -59.78 -42.67 93.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -178.774 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -62.72 -43.78 97.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.218 176.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -66.2 -52.51 47.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.332 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -54.45 -40.24 68.19 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.87 0.367 . . . . 0.0 110.645 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -71.25 -29.11 64.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.535 -177.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.08 -11.11 20.81 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -175.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.446 HG12 ' HB2' ' A' ' 25' ' ' ASN . 15.0 t -78.92 -67.17 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.681 0.277 . . . . 0.0 110.346 178.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.446 ' HB2' HG12 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -178.17 -179.72 0.75 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -174.065 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.503 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -82.66 -18.92 39.33 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.241 -0.584 . . . . 0.0 109.483 172.711 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.01 117.6 13.85 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.97 177.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -68.67 151.29 74.9 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.517 2.145 . . . . 0.0 112.72 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -116.17 154.65 48.65 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.888 177.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.91 -46.95 29.87 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.31 2.673 . . . . 0.0 113.292 -176.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -47.55 84.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.793 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.948 ' HA ' HD23 ' A' ' 35' ' ' LEU . 17.1 m -61.74 -46.41 89.74 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.5 176.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.662 HD21 ' HB2' ' A' ' 48' ' ' GLN . 4.0 tp -55.87 -44.32 78.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.258 -178.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.8 m -68.42 -37.66 80.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.238 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.948 HD23 ' HA ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -77.25 -46.21 23.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.75 0.309 . . . . 0.0 111.795 -176.235 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.616 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 4.6 pt -71.53 -25.44 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 O-C-N 122.26 -0.275 . . . . 0.0 111.244 -175.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.73 -43.79 94.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.103 176.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.9 -35.6 78.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.715 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -68.61 -41.09 80.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.038 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.98 -22.68 42.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.476 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.53 36.8 6.37 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.44 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.5 mt -134.67 174.78 10.19 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.49 173.13 7.1 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 176.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -61.27 -49.27 77.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.799 -175.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -57.04 -49.24 76.44 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.217 0.323 . . . . 0.0 111.474 -176.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -62.8 -45.99 90.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 111.051 -176.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.681 HG23 HD11 ' A' ' 17' ' ' LEU . 3.3 m -66.01 -41.6 90.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.98 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.662 ' HB2' HD21 ' A' ' 33' ' ' LEU . 7.1 tt0 -63.3 -45.63 90.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.376 -178.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -38.4 89.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -178.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.582 ' HH2' ' HA ' ' A' ' 18' ' ' GLU . 78.9 t90 -68.64 -47.91 65.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.586 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -60.43 -34.78 74.47 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.89 0.376 . . . . 0.0 110.421 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.481 ' HE2' ' HG2' ' A' ' 48' ' ' GLN . 7.2 mttm -59.66 -41.82 91.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.041 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -33.97 77.28 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.93 -178.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.502 ' HG3' ' CZ3' ' A' ' 50' ' ' TRP . 2.4 mmt180 -73.52 -25.42 60.41 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.995 -177.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -56.89 -41.85 78.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.135 0.493 . . . . 0.0 110.487 179.399 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 60' ' ' ARG . . . -73.94 -43.49 58.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.882 177.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.473 ' OE1' ' HD3' ' A' ' 60' ' ' ARG . 0.4 OUTLIER -63.98 -36.27 83.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.236 -177.66 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.588 ' CD1' ' HG3' ' A' ' 62' ' ' GLU . 3.3 t90 -60.84 -48.1 83.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.929 177.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.4 mtm-85 -62.09 -33.17 73.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.996 -178.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 28.6 mtp180 -69.49 -53.61 18.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.244 0.545 . . . . 0.0 110.615 177.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 m -67.39 -38.22 84.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.381 -173.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.588 ' HG3' ' CD1' ' A' ' 58' ' ' TRP . 1.2 mt-10 -77.36 -33.35 55.31 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.17 -0.212 . . . . 0.0 111.479 -176.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.61 64.51 3.79 Favored Glycine 0 CA--C 1.517 0.186 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.848 178.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.86 119.41 77.03 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 -178.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -63.37 -64.66 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.847 2.365 . . . . 0.0 112.035 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 p -130.96 -70.38 0.61 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.624 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.7 -122.01 0.14 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.989 175.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.89 52.91 2.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.499 0.666 . . . . 0.0 109.981 177.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.19 157.37 17.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.716 -179.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 m -57.57 139.92 52.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 123.189 0.306 . . . . 0.0 110.523 176.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.89 140.4 13.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-O 120.933 0.397 . . . . 0.0 110.675 -178.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.0 t -115.35 125.04 52.73 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.335 0.588 . . . . 0.0 110.944 -176.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.3 t70 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 117.927 -1.035 . . . . 0.0 109.199 176.1 . . . . . . . . 0 0 . 1 stop_ save_