data_2kat_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 2kat _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 ' 4' ' ' ILE . . . . . 0.457 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 51.1 mm . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.731 0.3 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.434 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 11.6 p -59.07 -46.3 88.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.336 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -60.8 -44.44 96.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.998 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -73.26 -32.03 64.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.601 0.239 . . . . 0.0 111.321 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 50.9 mt -66.64 -34.02 76.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.085 177.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 5' ' ' THR . 63.1 mm-40 -51.64 -32.84 30.85 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.381 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.86 -49.53 75.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.432 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.626 ' HE3' HD21 ' A' ' 21' ' ' LEU . 24.3 ptm -76.06 -26.87 56.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.73 0.3 . . . . 0.0 111.175 -177.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.34 -32.89 74.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.381 174.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.14 -6.65 53.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.093 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -92.45 0.48 57.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.331 . . . . 0.0 110.966 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.81 22.71 57.45 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.725 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.6 m -93.55 75.08 4.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.563 0.696 . . . . 0.0 109.744 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -81.46 93.3 6.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.541 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.703 ' HB2' HD11 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -111.9 168.19 9.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.261 -178.262 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.45 ' HE2' ' HB2' ' A' ' 49' ' ' ASP . 24.3 ttt -69.16 -58.04 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.655 -176.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 20' ' ' LEU . 3.8 mm? -65.04 -27.6 68.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.48 -173.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.703 HD11 ' HB2' ' A' ' 18' ' ' ASN . 11.1 mp -61.92 -30.01 70.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.027 0.441 . . . . 0.0 110.736 178.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.5 mtt-85 -70.25 -43.05 71.35 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -69.75 -49.12 56.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.289 -175.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.1 m -56.33 -43.42 79.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.663 0.268 . . . . 0.0 111.418 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.16 -36.27 83.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.014 0.435 . . . . 0.0 111.011 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.4 -37.76 62.61 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.339 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -58.31 -41.32 84.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.73 0.3 . . . . 0.0 111.007 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 m -59.32 -39.75 84.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.34 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -64.72 -42.23 95.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.991 0.424 . . . . 0.0 110.399 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.14 -35.55 74.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.358 -176.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -68.53 -31.23 70.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.736 0.303 . . . . 0.0 110.878 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -84.59 6.84 22.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.459 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.4 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 24.6 mt-10 61.66 25.35 15.27 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.239 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.53 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 5.1 tp60 -96.26 47.48 1.08 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.989 0.9 . . . . 0.0 108.642 177.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.683 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 81.1 m-85 -55.98 -28.76 58.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.685 -176.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -58.73 -49.37 77.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.342 0.591 . . . . 0.0 110.479 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.464 ' HB2' ' HG3' ' A' ' 34' ' ' GLN . . . -74.19 -27.26 60.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.687 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.78 86.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.334 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.3 mt -51.24 -54.5 37.61 Favored Pre-proline 0 N--CA 1.468 0.44 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -174.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -63.53 -37.67 46.57 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 121.77 1.647 . . . . 0.0 112.314 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -70.98 -43.99 66.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.822 -176.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.77 -36.09 75.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.813 0.339 . . . . 0.0 110.607 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -63.74 -40.17 96.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.582 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.29 -39.94 92.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.629 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.88 -45.78 77.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.942 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.7 -26.02 67.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.868 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -67.28 -40.46 86.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.075 0.464 . . . . 0.0 110.25 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -82.04 -45.0 15.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.284 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.45 ' HB2' ' HE2' ' A' ' 19' ' ' MET . 0.9 OUTLIER -139.86 86.31 13.64 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 121.752 0.787 . . . . 0.0 111.36 -177.784 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -80.13 -3.81 12.87 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.855 2.37 . . . . 0.0 113.01 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.1 p -91.25 15.1 12.61 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -174.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.54 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 19.0 t80 -90.88 99.5 12.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.131 0.491 . . . . 0.0 110.428 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.627 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 7.7 p -52.06 -45.18 64.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.129 -0.942 . . . . 0.0 113.318 -176.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.54 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 21.2 t -58.63 -35.51 55.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.874 0.368 . . . . 0.0 110.719 -178.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.89 -38.01 89.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.026 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.627 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 8.5 m0 -60.08 -41.58 92.74 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.783 0.801 . . . . 0.0 109.284 178.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.868 ' HA ' HD22 ' A' ' 95' ' ' LEU . 58.4 tttm -65.22 -35.6 81.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.446 -1.252 . . . . 0.0 111.356 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 87.6 m95 -72.84 -37.76 67.33 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 121.21 -0.196 . . . . 0.0 110.929 176.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.75 -44.6 81.91 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.104 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.446 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -56.76 -44.27 91.77 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.044 176.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.473 ' HA ' ' HG2' ' A' ' 64' ' ' GLN . 43.9 mtpt -66.31 -26.49 67.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 111.373 177.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.683 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 33.3 m -66.62 -49.23 66.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.977 -177.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.5 -41.8 96.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.704 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.473 ' HG2' ' HA ' ' A' ' 61' ' ' LYS . 3.4 pt20 -69.08 -36.0 77.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.909 0.385 . . . . 0.0 110.57 -178.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.41 ' HA3' ' CE2' ' A' ' 35' ' ' PHE . . . -72.13 -34.59 61.35 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.902 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -63.07 -35.73 81.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.323 0.582 . . . . 0.0 109.75 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.25 25.89 5.11 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.426 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -114.08 99.99 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.102 0.477 . . . . 0.0 109.853 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.55 ' HG3' HD11 ' A' ' 102' ' ' LEU . 41.2 ttm105 -65.26 -38.64 90.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.398 -176.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.29 -45.98 74.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.922 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.95 -40.74 97.32 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.388 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.57 97.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.839 0.352 . . . . 0.0 110.663 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -56.12 -52.75 63.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.528 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -66.44 -34.8 78.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.152 -176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.87 -50.04 73.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.45 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.569 ' CD1' HD21 ' A' ' 95' ' ' LEU . 11.1 m0 -66.85 -36.56 82.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.264 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -60.22 -38.38 83.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.996 0.427 . . . . 0.0 110.796 175.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 m -73.55 -43.86 58.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.926 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.04 -25.08 74.56 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 121.055 -0.593 . . . . 0.0 113.231 -176.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.1 tp -59.47 -53.22 60.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.219 0.533 . . . . 0.0 110.484 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.55 -29.79 70.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.294 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.51 88.76 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.556 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -67.97 -36.93 80.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.799 178.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.31 -46.37 90.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.028 174.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.7 t -64.51 -27.45 68.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.205 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.599 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 24.1 mmm180 -89.12 -8.29 54.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.31 . . . . 0.0 111.559 176.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.81 28.72 71.66 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.193 -0.527 . . . . 0.0 112.793 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.439 ' O ' HG22 ' A' ' 92' ' ' VAL . 7.0 t70 -101.61 86.54 2.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.455 0.645 . . . . 0.0 109.932 -178.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -59.7 -35.58 74.77 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.732 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.566 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 9.6 tt0 -57.99 -48.34 80.3 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.179 0.299 . . . . 0.0 110.672 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.2 t -68.8 -37.69 77.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.642 -176.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 88' ' ' ASP . 94.4 t -57.47 -50.7 76.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.079 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.502 ' O ' HG23 ' A' ' 97' ' ' VAL . 59.4 mtmt -67.94 -39.6 83.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.83 -178.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 25.4 mt-10 -59.09 -49.55 77.45 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.949 0.404 . . . . 0.0 111.119 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.868 HD22 ' HA ' ' A' ' 57' ' ' LYS . 60.9 mt -69.77 -33.75 72.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.83 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.684 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 28.8 tt0 -59.96 -42.19 93.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 93' ' ' LYS . 97.5 t -59.96 -45.53 95.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 120.954 0.406 . . . . 0.0 110.917 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -65.6 -38.61 89.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.589 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.484 HD12 ' HB2' ' A' ' 76' ' ' TRP . 53.1 tp -62.5 -32.75 73.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.145 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.684 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 1.1 mmp_? -71.14 -48.89 49.34 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 121.326 0.584 . . . . 0.0 109.884 178.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -57.49 -38.87 75.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.214 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.55 HD11 ' HG3' ' A' ' 69' ' ' ARG . 33.8 tp -64.45 -37.48 87.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.233 0.54 . . . . 0.0 110.509 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.41 -30.34 71.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.224 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 86.0 mtt-85 -65.12 -28.92 69.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.206 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -74.22 -39.58 63.0 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.005 0.431 . . . . 0.0 110.107 174.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -59.24 -39.97 84.47 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.761 0.791 . . . . 0.0 109.405 174.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.733 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.794 177.659 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.453 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 63.8 mt . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 121.047 0.451 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.3 t -59.1 -31.83 69.27 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.216 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -65.51 -46.75 78.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.007 0.432 . . . . 0.0 111.023 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 4' ' ' ILE . 7.3 ppt_? -73.3 -31.25 63.92 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.782 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.579 ' HB3' HD11 ' A' ' 25' ' ' LEU . 77.3 mt -64.46 -41.74 96.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.551 175.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -66.41 -33.88 76.7 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.322 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.89 -47.57 85.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.077 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 88.0 mtp -61.45 -36.8 81.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.619 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 16' ' ' THR . 31.8 tp -58.41 -46.77 85.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.049 175.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.47 -15.33 59.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.658 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -83.32 5.43 23.32 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.02 38.73 1.8 Allowed Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.838 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.426 ' O ' HD13 ' A' ' 12' ' ' LEU . 12.3 m -136.43 56.94 1.79 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.336 0.589 . . . . 0.0 109.486 173.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -68.33 82.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.07 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.438 ' HB3' ' HB3' ' A' ' 21' ' ' LEU . 25.0 t-20 -117.75 155.93 29.16 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.472 -171.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.544 ' HE2' ' CB ' ' A' ' 49' ' ' ASP . 23.3 ttt -81.4 -58.64 2.94 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.89 -175.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.6 tp -62.15 -34.71 76.9 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.954 0.407 . . . . 0.0 110.527 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.438 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . 3.3 tm? -59.75 -57.0 14.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.9 176.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.491 ' HA ' HD12 ' A' ' 25' ' ' LEU . 6.6 ptm180 -68.04 -24.54 65.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.61 0.243 . . . . 0.0 110.742 -176.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -66.07 -36.75 84.04 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.462 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.3 m -58.72 -41.54 86.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.456 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.579 HD11 ' HB3' ' A' ' 8' ' ' LEU . 7.8 mp -59.64 -37.5 78.84 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.476 177.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.69 -45.2 96.85 Favored Glycine 0 C--N 1.333 0.393 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.124 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 48.6 mtpt -61.81 -42.72 99.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.953 0.406 . . . . 0.0 110.36 176.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.0 m -59.08 -40.05 84.03 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.478 -177.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -62.77 -44.41 96.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.751 0.31 . . . . 0.0 110.429 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.04 -37.98 85.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.096 -177.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 27' ' ' LYS . 47.0 mt-10 -71.08 -26.07 62.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.201 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -97.11 18.99 13.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.352 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 68.51 21.1 8.24 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.581 0.705 . . . . 0.0 111.115 173.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.467 ' HG3' ' HB3' ' A' ' 37' ' ' ALA . 17.2 tp60 -97.18 46.1 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.485 ' HB3' HG22 ' A' ' 62' ' ' THR . 92.5 m-85 -50.85 -47.12 60.4 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.861 -1.063 . . . . 0.0 113.054 -170.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -60.99 -39.82 91.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.066 0.46 . . . . 0.0 111.331 -174.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HB3' ' HG3' ' A' ' 34' ' ' GLN . . . -74.25 -27.98 61.01 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.809 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.77 -37.88 82.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.47 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.588 HD13 HE21 ' A' ' 66' ' ' GLN . 30.8 mt -55.9 -53.88 58.17 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -174.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.522 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 16.7 Cg_exo -67.65 -37.74 15.8 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 121.886 1.724 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -63.74 -38.84 92.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.599 -1.182 . . . . 0.0 110.474 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.527 HD23 HD23 ' A' ' 59' ' ' LEU . 35.1 tp -71.58 -36.65 70.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.587 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 57.2 mtt180 -60.45 -33.03 71.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.866 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.35 88.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.01 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.83 -42.27 73.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.025 0.44 . . . . 0.0 110.649 177.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.81 -26.28 68.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.028 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.96 -36.4 83.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.248 0.547 . . . . 0.0 110.493 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -80.91 -43.41 19.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.928 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.544 ' CB ' ' HE2' ' A' ' 19' ' ' MET . 9.4 t70 -141.97 88.87 9.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.804 0.335 . . . . 0.0 110.851 -177.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.76 -7.47 19.61 Favored 'Trans proline' 0 CA--C 1.527 0.156 0 C-N-CA 122.611 2.207 . . . . 0.0 112.228 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.54 ' HB ' ' HD3' ' A' ' 86' ' ' ARG . 4.4 p -96.55 12.4 31.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.502 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.441 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 12.2 t80 -73.08 95.93 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.072 0.463 . . . . 0.0 109.829 178.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.542 ' HB3' HG22 ' A' ' 91' ' ' VAL . 5.7 m -53.15 -42.59 66.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.033 -0.985 . . . . 0.0 112.865 -173.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.441 ' HB ' ' CE1' ' A' ' 52' ' ' TYR . 74.4 t -61.08 -36.19 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.959 0.409 . . . . 0.0 110.828 -177.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.67 -32.18 71.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.482 -176.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.893 ' HH2' ' HG3' ' A' ' 86' ' ' ARG . 20.1 m0 -60.11 -43.37 95.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.449 0.643 . . . . 0.0 110.195 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.736 ' HA ' HD21 ' A' ' 95' ' ' LEU . 36.1 ttmt -64.16 -44.8 90.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.849 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -68.41 -35.94 78.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.43 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.527 HD23 HD23 ' A' ' 42' ' ' LEU . 1.2 tm? -59.38 -51.05 71.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.11 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.65 -40.5 98.84 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.538 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -59.0 -43.43 91.5 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.177 0.513 . . . . 0.0 110.874 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.485 HG22 ' HB3' ' A' ' 35' ' ' PHE . 19.4 m -69.52 -37.08 76.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.375 -175.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.7 mt -63.55 -33.94 76.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? -65.03 -43.71 91.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.09 -20.16 70.71 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.732 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.588 HE21 HD13 ' A' ' 39' ' ' LEU . 15.7 mm-40 -74.21 -23.53 59.21 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.707 0.289 . . . . 0.0 110.796 177.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.23 -5.74 33.98 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.098 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -82.67 89.19 6.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.587 0.708 . . . . 0.0 109.905 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -57.14 -44.72 83.63 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.978 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.61 -49.11 61.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 111.575 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.14 -40.97 97.91 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.872 -177.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.45 98.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.922 0.391 . . . . 0.0 111.259 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -66.49 -48.64 69.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.086 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -64.37 -34.42 78.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.186 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.18 -45.93 86.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.933 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.52 ' HB3' HD22 ' A' ' 99' ' ' LEU . 10.9 m0 -70.07 -36.19 74.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -60.8 -40.86 94.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.199 0.523 . . . . 0.0 110.177 175.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.2 t -70.88 -42.43 70.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.231 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.07 -30.9 79.07 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.388 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.0 tp -62.34 -45.92 91.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.894 0.378 . . . . 0.0 110.327 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.7 -31.11 72.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.168 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.26 87.68 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 173.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.0 86.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.76 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -60.19 -50.8 72.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.448 174.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.5 m -59.39 -35.63 74.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.236 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.893 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 8.6 mmm180 -76.66 -16.4 59.55 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.15 9.56 60.61 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.318 -174.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.466 ' O ' HG22 ' A' ' 92' ' ' VAL . 5.3 m-20 -75.42 86.58 2.57 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.785 0.802 . . . . 0.0 110.58 -176.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -57.92 -44.16 86.67 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.307 -1.315 . . . . 0.0 112.739 -175.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.529 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 62.9 tt0 -63.31 -40.09 96.38 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.95 -175.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.542 HG22 ' HB3' ' A' ' 53' ' ' SER . 96.5 t -67.68 -37.86 79.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.437 -178.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 88' ' ' ASP . 90.7 t -58.36 -46.27 89.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.054 176.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.55 -38.35 90.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.651 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 35.7 mt-10 -69.4 -49.75 52.35 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.908 0.385 . . . . 0.0 111.036 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.736 HD21 ' HA ' ' A' ' 57' ' ' LYS . 26.6 mt -66.84 -32.0 72.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.093 -178.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.503 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 42.6 tt0 -58.2 -32.04 67.89 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.181 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 51.6 t -60.51 -38.76 79.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.05 0.452 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -65.67 -38.85 90.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.008 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.52 HD22 ' HB3' ' A' ' 76' ' ' TRP . 3.6 mm? -60.16 -38.65 83.83 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.88 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.546 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 38.0 mtt180 -67.41 -49.32 64.3 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-O 122.212 1.006 . . . . 0.0 109.935 -175.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -66.42 -43.39 85.85 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 113.618 -1.628 . . . . 0.0 110.963 -175.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 43.4 tp -69.62 -39.33 77.26 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.044 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.82 -35.82 75.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.279 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 41.1 mtp85 -58.74 -41.69 87.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.083 0.468 . . . . 0.0 110.873 178.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -72.51 -42.17 65.11 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.915 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -71.24 -46.99 59.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.805 -176.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.631 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.301 -177.838 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.6 mm . . . . . 0 N--CA 1.449 -0.519 0 CA-C-O 120.976 0.417 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -52.83 56.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -174.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -61.23 -38.47 86.75 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.782 0.325 . . . . 0.0 111.754 -174.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -73.61 -42.75 61.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.304 -176.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.527 ' HB2' HD21 ' A' ' 25' ' ' LEU . 35.2 mt -68.34 -45.8 71.88 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.174 -0.211 . . . . 0.0 111.16 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -59.18 -35.06 72.91 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.553 0.216 . . . . 0.0 111.024 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.6 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -69.12 -50.25 49.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.309 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.4 ptm -72.94 -31.82 64.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.166 -176.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.526 HD13 HD12 ' A' ' 25' ' ' LEU . 9.4 tt -62.54 -44.51 96.18 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.31 -18.8 63.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.457 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 28.9 mm-40 -79.25 -8.7 59.24 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.864 0.364 . . . . 0.0 110.585 177.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.44 -6.97 24.64 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.922 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -85.08 70.38 10.9 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.12 0.486 . . . . 0.0 110.505 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.475 ' HB2' ' HG ' ' A' ' 12' ' ' LEU . 21.0 t70 -152.0 162.64 40.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.304 177.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -158.55 -58.96 0.07 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.238 -0.892 . . . . 0.0 108.917 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.691 ' HE2' ' HB3' ' A' ' 45' ' ' ALA . 1.4 tmt? -158.21 -40.73 0.06 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.215 178.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.2 tt -53.96 -56.57 16.62 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.845 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 mp -67.09 -46.55 73.91 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.27 -0.172 . . . . 0.0 111.139 -174.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -55.67 -42.57 75.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.328 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -65.04 -44.76 88.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 110.357 176.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.4 m -62.73 -41.16 99.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.052 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 8' ' ' LEU . 30.8 mt -63.42 -43.18 98.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.915 178.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.94 -45.4 95.18 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.464 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 87.5 tttt -61.7 -40.13 93.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.044 0.45 . . . . 0.0 110.488 176.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.5 m -64.72 -38.8 92.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.174 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -62.12 -39.69 93.42 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.321 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.94 -38.93 92.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.766 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 27' ' ' LYS . 51.2 mt-10 -69.05 -23.28 64.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.955 0.407 . . . . 0.0 110.811 177.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -93.48 8.61 39.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.391 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 62.6 27.14 16.06 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.729 0.776 . . . . 0.0 110.633 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -110.08 47.6 0.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.485 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 76.8 m-85 -53.21 -32.62 49.04 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 114.691 -1.141 . . . . 0.0 112.328 -172.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -55.48 -45.47 76.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.225 0.536 . . . . 0.0 110.819 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.65 -27.78 60.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.901 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.71 77.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.587 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 35' ' ' PHE . 94.0 mt -52.77 -54.28 45.13 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -173.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 18.3 Cg_endo -61.29 -42.56 34.07 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 121.994 1.796 . . . . 0.0 112.654 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -70.82 -36.66 73.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 -176.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.2 tp -70.74 -37.37 73.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.302 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -66.31 -39.44 89.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.485 177.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.73 -31.71 71.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.982 0.42 . . . . 0.0 110.851 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.691 ' HB3' ' HE2' ' A' ' 19' ' ' MET . . . -65.68 -41.99 91.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.521 177.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 55' ' ' ALA . 72.1 mt -73.09 -25.62 60.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.485 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.0 -43.84 94.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.125 0.488 . . . . 0.0 109.753 176.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -82.07 -43.29 18.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.94 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -128.34 87.76 54.38 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.969 0.414 . . . . 0.0 111.161 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -71.02 -4.5 15.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.883 2.389 . . . . 0.0 112.07 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.1 p -101.03 16.16 26.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.567 -176.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -87.37 89.28 7.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.006 0.431 . . . . 0.0 110.205 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.599 ' HA ' ' CE3' ' A' ' 56' ' ' TRP . 2.3 m -50.86 -41.46 58.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.821 -176.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.7 t -58.11 -39.17 71.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.949 0.404 . . . . 0.0 111.002 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.597 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -69.61 -28.76 66.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.432 -176.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.599 ' CE3' ' HA ' ' A' ' 53' ' ' SER . 34.7 m0 -63.63 -49.03 74.88 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.207 0.527 . . . . 0.0 109.964 -178.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.989 ' HA ' HD22 ' A' ' 95' ' ' LEU . 84.5 tttt -67.64 -34.63 77.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.947 178.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -68.71 -27.67 66.16 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 84.3 mt -55.25 -51.56 66.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.018 0.437 . . . . 0.0 110.707 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.654 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -63.61 -41.58 99.06 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.572 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -58.91 -44.8 91.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.009 0.433 . . . . 0.0 110.706 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.1 m -65.0 -42.35 94.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.798 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.56 -31.28 69.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.657 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -67.34 -36.4 81.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.925 0.393 . . . . 0.0 110.537 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.15 -36.25 64.0 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.613 175.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -67.25 -38.38 85.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.817 0.341 . . . . 0.0 110.371 177.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.9 9.29 26.61 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.626 177.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -94.82 87.59 5.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.267 0.556 . . . . 0.0 110.244 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.551 ' HB2' HD11 ' A' ' 102' ' ' LEU . 13.2 ptt-85 -66.48 -33.94 76.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.356 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.32 -48.21 68.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.938 0.399 . . . . 0.0 110.546 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.38 -38.48 95.88 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.245 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.38 -42.96 99.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 110.456 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -58.9 -50.87 72.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.964 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -58.22 -43.84 87.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.879 177.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.49 -47.72 80.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.553 -177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.654 ' NE1' ' HA3' ' A' ' 60' ' ' GLY . 13.7 m0 -63.21 -39.62 95.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.209 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.21 -37.5 85.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.918 0.39 . . . . 0.0 110.596 175.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.1 m -71.01 -46.39 62.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.38 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.63 -30.38 74.73 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.669 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.7 tp -61.64 -53.25 58.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.119 0.485 . . . . 0.0 110.119 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.14 -31.68 72.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.061 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.99 -47.58 77.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.059 0.457 . . . . 0.0 109.774 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.567 ' HA ' ' CZ3' ' A' ' 56' ' ' TRP . . . -63.64 -43.28 97.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.866 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -59.74 -45.48 92.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.124 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 m -66.59 -27.79 68.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.636 ' HA ' ' NE ' ' A' ' 86' ' ' ARG . 5.1 mmp_? -96.47 -13.46 23.07 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.0 22.16 39.64 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.147 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.5 ' O ' HG23 ' A' ' 92' ' ' VAL . 34.0 m-20 -89.54 78.0 7.14 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.323 0.582 . . . . 0.0 110.103 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -60.54 -38.8 85.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.535 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -57.48 -44.84 85.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.431 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.505 HG21 ' HB3' ' A' ' 53' ' ' SER . 47.3 t -68.13 -38.5 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.632 -178.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 88' ' ' ASP . 99.2 t -57.91 -50.9 76.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.323 178.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.462 ' O ' HG23 ' A' ' 97' ' ' VAL . 53.7 mtmt -67.08 -36.55 82.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.818 -177.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -64.01 -49.5 72.17 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.75 0.31 . . . . 0.0 111.609 176.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.989 HD22 ' HA ' ' A' ' 57' ' ' LYS . 54.4 mt -68.5 -32.51 72.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.118 -178.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.462 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 62.5 tt0 -57.6 -40.6 79.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.709 176.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.521 ' O ' ' HG3' ' A' ' 101' ' ' ARG . 88.9 t -62.45 -43.59 98.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.014 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.411 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 61.2 m-85 -60.99 -39.73 90.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.338 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 70.5 mt -57.97 -37.93 75.1 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.103 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.483 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 26.6 mtp180 -69.14 -47.48 64.94 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.725 0.774 . . . . 0.0 109.91 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 97' ' ' VAL . 52.4 mtp85 -59.47 -41.24 89.29 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.776 -179.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.551 HD11 ' HB2' ' A' ' 69' ' ' ARG . 50.5 tp -67.95 -36.75 80.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.727 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.09 -31.14 72.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.205 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 81.6 mtt-85 -56.66 -44.89 81.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.231 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -64.76 -40.3 95.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.417 0.627 . . . . 0.0 110.855 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -71.29 -44.65 64.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.404 -174.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.711 0 CA-C-N 115.133 -0.939 . . . . 0.0 111.764 179.556 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.47 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 63.9 mt . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 121.051 0.453 . . . . 0.0 110.597 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 p -60.8 -34.17 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.816 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.78 -47.91 84.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.012 0.434 . . . . 0.0 110.815 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -73.75 -31.36 63.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.796 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.473 ' HA ' ' HG2' ' A' ' 11' ' ' MET . 76.2 mt -63.22 -51.41 66.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.749 176.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -53.1 -40.13 63.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.079 0.466 . . . . 0.0 110.351 177.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.9 -49.27 68.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.652 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.492 ' HG3' HD21 ' A' ' 12' ' ' LEU . 24.2 ptm -72.44 -32.02 65.94 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.606 0.225 . . . . 0.0 111.606 -175.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.492 HD21 ' HG3' ' A' ' 11' ' ' MET . 4.2 mm? -73.43 -50.56 21.08 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.037 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.78 -21.61 66.51 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -173.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -98.03 16.54 20.78 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 122.204 -0.31 . . . . 0.0 111.234 -175.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.31 -58.35 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.524 -0.845 . . . . 0.0 112.051 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.7 m -140.01 86.49 2.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.906 0.384 . . . . 0.0 110.375 -177.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -72.06 -79.79 0.07 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 54.49 -162.95 0.13 Allowed 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.559 174.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -118.18 -33.32 4.44 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.1 mt -73.51 0.49 12.33 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.479 -0.782 . . . . 0.0 113.074 -171.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.8 mp -125.08 -44.27 1.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.122 0.487 . . . . 0.0 110.963 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -81.07 -7.57 59.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.713 -172.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -69.8 -32.66 71.23 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.683 0.278 . . . . 0.0 110.622 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.3 m -57.29 -33.78 68.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.489 -177.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.6 mp -58.55 -32.97 69.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.108 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.89 -37.78 86.08 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.026 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -61.02 -48.87 79.81 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.114 0.483 . . . . 0.0 109.86 173.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 m -57.64 -42.49 83.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.425 -176.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -60.39 -44.67 95.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.747 177.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.17 -39.28 71.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.076 -176.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -67.01 -31.91 72.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.88 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -88.14 13.91 10.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.656 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 68.45 20.5 8.5 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.498 171.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -103.94 71.67 1.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.586 0.708 . . . . 0.0 109.144 175.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.445 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 62.9 m-85 -66.7 -38.6 87.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.347 -177.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.01 -45.94 86.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.091 -176.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.72 -28.61 62.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.984 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.09 -37.69 72.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.521 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 35' ' ' PHE . 89.0 mt -51.79 -55.09 33.21 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -173.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.433 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 64.6 Cg_endo -74.63 -26.55 11.6 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 121.474 1.45 . . . . 0.0 111.768 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -72.5 -45.88 57.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.479 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.2 tp -71.79 -43.43 65.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.114 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -63.75 -32.11 73.51 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.014 -0.275 . . . . 0.0 110.7 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.01 92.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.867 0.365 . . . . 0.0 110.438 175.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.73 88.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.722 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 55' ' ' ALA . 55.0 mt -66.71 -26.02 66.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.325 177.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.39 -39.36 85.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.218 0.532 . . . . 0.0 109.93 176.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -77.88 -44.59 26.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.203 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -133.23 87.1 39.74 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 120.979 0.418 . . . . 0.0 110.265 -177.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.21 -3.74 14.22 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.741 2.294 . . . . 0.0 112.677 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.1 m -86.26 -11.5 52.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 -176.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.475 ' CZ ' ' HB ' ' A' ' 54' ' ' VAL . 13.8 t80 -74.32 94.27 2.5 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.539 0.685 . . . . 0.0 110.871 -178.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.59 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 4.9 p -60.72 -37.9 83.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.945 -1.025 . . . . 0.0 113.199 -175.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.475 ' HB ' ' CZ ' ' A' ' 52' ' ' TYR . 48.0 t -57.71 -36.4 54.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.827 0.346 . . . . 0.0 110.996 -177.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.506 ' HB3' HD22 ' A' ' 46' ' ' LEU . . . -67.96 -28.21 67.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.425 -177.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.59 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 30.8 m0 -59.27 -46.4 88.62 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.464 0.65 . . . . 0.0 109.585 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.806 ' HA ' HD23 ' A' ' 95' ' ' LEU . 81.5 tttt -66.0 -36.47 83.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.091 -0.958 . . . . 0.0 111.464 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -71.16 -37.61 72.21 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -56.95 -43.3 81.43 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 120.944 0.402 . . . . 0.0 110.811 -175.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.498 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -64.87 -34.87 91.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.408 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -62.72 -39.77 95.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 111.106 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.47 -32.42 66.23 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.856 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.1 mt -69.72 -34.85 74.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.711 0.291 . . . . 0.0 110.704 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -59.26 -36.52 75.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.393 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.29 -16.86 63.17 Favored Glycine 0 CA--C 1.52 0.358 0 CA-C-N 115.837 -0.619 . . . . 0.0 113.077 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -78.24 -15.12 59.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.672 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.25 -3.15 75.86 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.308 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -93.33 92.52 7.72 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.437 ' HB2' HD11 ' A' ' 102' ' ' LEU . 37.9 ptt180 -64.58 -31.35 72.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.882 -175.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.08 -50.41 55.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.733 0.301 . . . . 0.0 111.301 -177.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.21 -35.83 78.17 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.787 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.54 -51.16 71.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.256 . . . . 0.0 111.116 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.601 ' HB3' HD21 ' A' ' 102' ' ' LEU . 23.5 ptt180 -69.24 -33.99 74.12 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.083 -178.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -57.14 -38.99 74.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.607 0.241 . . . . 0.0 111.055 175.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.48 99.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.004 0.431 . . . . 0.0 110.758 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.587 ' CE3' ' HA ' ' A' ' 73' ' ' ARG . 13.6 m0 -66.85 -39.61 87.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.577 178.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.38 -38.28 88.96 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.917 0.389 . . . . 0.0 110.758 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.9 m -68.5 -43.75 76.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.817 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.74 -28.27 73.68 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.958 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.34 -49.33 78.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.989 0.423 . . . . 0.0 110.171 177.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.27 -33.37 75.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.144 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.32 -41.73 96.68 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.3 -42.12 72.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.65 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.456 HE21 HG21 ' A' ' 92' ' ' VAL . 17.3 mm-40 -57.56 -45.84 84.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.811 176.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.5 t -58.3 -39.54 79.63 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.506 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -84.11 -13.53 52.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.73 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.3 24.7 60.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.923 -178.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.436 ' O ' HG22 ' A' ' 92' ' ' VAL . 0.4 OUTLIER -91.97 82.61 5.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.668 0.747 . . . . 0.0 110.504 -176.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -58.22 -43.13 87.56 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.377 -1.283 . . . . 0.0 112.54 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -59.24 -40.07 84.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.711 0.291 . . . . 0.0 110.624 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.4 t -66.53 -40.78 87.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.989 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.456 HG21 HE21 ' A' ' 84' ' ' GLN . 77.6 t -59.49 -45.87 93.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.363 176.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.432 ' O ' HG23 ' A' ' 97' ' ' VAL . 75.8 mmtt -60.71 -47.52 85.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.105 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.48 -45.9 87.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.801 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.806 HD23 ' HA ' ' A' ' 57' ' ' LYS . 84.6 mt -69.24 -37.68 78.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.368 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.598 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 44.7 mt-30 -60.29 -29.88 69.12 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 111.462 0.171 . . . . 0.0 111.462 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 93' ' ' LYS . 93.6 t -59.92 -41.44 85.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-O 120.877 0.37 . . . . 0.0 110.629 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -67.3 -39.03 85.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.575 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.85 -35.46 78.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.577 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.66 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 45.2 mmt-85 -69.7 -53.44 18.53 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 121.161 0.505 . . . . 0.0 110.581 -175.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -59.13 -43.17 91.96 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.952 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.601 HD21 ' HB3' ' A' ' 73' ' ' ARG . 37.6 tp -67.2 -36.01 80.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.126 0.488 . . . . 0.0 110.492 -178.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.41 -32.1 68.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.316 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.66 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 62.0 mtp85 -62.45 -41.07 98.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.596 0.236 . . . . 0.0 111.038 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -62.91 -40.0 96.24 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.015 0.435 . . . . 0.0 110.599 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -68.47 -43.22 77.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.5 177.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.684 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.778 -179.923 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.451 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 75.5 mt . . . . . 0 N--CA 1.45 -0.448 0 CA-C-O 121.142 0.496 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 p -62.81 -40.01 96.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.106 -177.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.416 ' HA ' ' HG2' ' A' ' 9' ' ' GLU . 21.6 mt-10 -63.22 -45.77 90.08 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -68.41 -32.57 72.72 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.566 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.531 ' HA ' ' HE2' ' A' ' 11' ' ' MET . 84.5 mt -67.28 -49.93 62.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.769 177.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.431 ' HA ' HD21 ' A' ' 12' ' ' LEU . 10.1 pt-20 -66.11 -30.99 71.6 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 120.693 0.283 . . . . 0.0 110.914 -178.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.17 -35.1 71.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.876 0.369 . . . . 0.0 110.748 176.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.531 ' HE2' ' HA ' ' A' ' 8' ' ' LEU . 65.0 mtm -69.46 -35.77 75.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.587 177.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.431 HD21 ' HA ' ' A' ' 9' ' ' GLU . 4.2 mm? -59.56 -37.75 79.29 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.26 -26.22 66.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.081 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -81.81 -6.01 58.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.811 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.84 -8.01 61.2 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.703 -0.76 . . . . 0.0 113.936 172.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.2 t -80.94 68.85 7.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.413 1.101 . . . . 0.0 110.135 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -81.07 108.43 14.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.204 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.489 HD22 HD23 ' A' ' 21' ' ' LEU . 10.4 p30 -125.63 174.26 8.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.193 0.52 . . . . 0.0 110.533 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.588 ' CE ' ' HB2' ' A' ' 49' ' ' ASP . 17.7 ttt -91.43 -25.36 19.37 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.026 -173.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.5 mt -82.66 -19.06 38.91 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -166.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.489 HD23 HD22 ' A' ' 18' ' ' ASN . 2.9 pp -79.85 -7.11 58.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.811 -0.555 . . . . 0.0 112.016 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 22' ' ' ARG . 57.8 mtt-85 -74.82 -38.13 62.14 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -172.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -69.72 -30.83 68.54 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.993 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.2 m -63.44 -35.97 82.18 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.67 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.19 -44.12 92.21 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.341 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.509 ' HA3' HD23 ' A' ' 42' ' ' LEU . . . -60.48 -36.46 91.32 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.487 -179.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -59.69 -38.77 82.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.75 0.309 . . . . 0.0 110.893 178.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.8 m -69.3 -36.22 76.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.886 0.374 . . . . 0.0 110.735 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -68.34 -41.09 81.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.278 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.39 -45.43 72.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.194 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -62.58 -32.47 73.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.044 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.7 12.71 24.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.2 -178.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 61.56 39.02 15.17 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.221 0.609 . . . . 0.0 112.328 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -111.84 46.29 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -53.14 -43.9 67.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.335 -174.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -55.5 -44.21 76.37 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.192 0.52 . . . . 0.0 111.32 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.54 -27.99 61.64 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.928 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.97 -37.95 79.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.521 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.3 mt -51.84 -54.37 41.0 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -174.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.23 -32.33 27.08 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 121.68 1.587 . . . . 0.0 112.349 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -71.64 -38.4 70.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.412 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.509 HD23 ' HA3' ' A' ' 26' ' ' GLY . 71.8 mt -71.12 -35.19 71.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.293 175.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -64.15 -31.54 72.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.98 177.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.05 85.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.673 174.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.79 -39.08 76.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.019 0.438 . . . . 0.0 110.155 175.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.85 -23.89 67.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.728 176.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -67.86 -29.97 69.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.128 0.489 . . . . 0.0 109.946 177.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -81.35 -43.54 18.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.756 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.588 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 13.2 t70 -122.85 139.59 31.62 Favored Pre-proline 0 C--N 1.329 -0.299 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.326 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 49' ' ' ASP . 4.8 Cg_exo -79.18 -22.03 8.75 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.764 2.309 . . . . 0.0 113.412 -176.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.697 ' OG1' ' HA ' ' A' ' 82' ' ' ALA . 4.1 t -158.17 83.41 0.85 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.908 0.861 . . . . 0.0 111.537 -172.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.461 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 45.6 t80 -109.82 121.45 45.26 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.608 178.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.469 ' HB3' ' HA ' ' A' ' 83' ' ' ALA . 3.4 p -52.69 -51.99 57.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.69 -173.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.461 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 50.9 t -64.3 -40.27 88.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.459 -176.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.71 -48.21 75.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.357 -175.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -67.34 -34.76 78.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.206 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.647 ' HA ' HD23 ' A' ' 95' ' ' LEU . 79.6 tttt -61.79 -43.41 98.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.688 176.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 62.9 m95 -73.68 -33.03 64.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.073 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.54 -42.76 79.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.953 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.401 ' HA2' ' HB2' ' A' ' 75' ' ' ALA . . . -59.29 -44.66 96.35 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 121.16 -0.543 . . . . 0.0 112.204 176.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt -63.68 -36.36 83.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.055 0.455 . . . . 0.0 110.914 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.8 m -68.52 -44.57 74.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.109 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 75' ' ' ALA . 38.2 mt -69.14 -30.88 69.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.684 0.278 . . . . 0.0 111.012 177.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -61.13 -46.4 90.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.027 174.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.66 -27.08 73.01 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.49 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -62.71 -33.85 75.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.018 0.437 . . . . 0.0 110.002 176.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.5 16.96 14.43 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.899 176.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -114.33 100.66 8.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.029 0.442 . . . . 0.0 110.305 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.98 -28.8 69.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.479 -176.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.34 -49.53 63.68 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.573 0.225 . . . . 0.0 110.523 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.6 -36.66 92.97 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.772 175.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.92 -45.3 93.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.43 0.157 . . . . 0.0 110.672 177.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -59.56 -48.09 82.99 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -55.71 -50.77 69.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.293 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.548 ' HB3' HD13 ' A' ' 63' ' ' LEU . . . -62.14 -45.94 91.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.018 -175.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.418 ' HE3' HD22 ' A' ' 102' ' ' LEU . 9.3 m0 -71.02 -39.84 72.12 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -176.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -64.99 -41.77 95.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.142 0.496 . . . . 0.0 110.551 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -73.64 -36.78 65.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.412 -178.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.52 -21.05 70.41 Favored Glycine 0 C--N 1.332 0.308 0 CA-C-N 115.839 -0.619 . . . . 0.0 113.753 -175.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.3 tp -58.08 -43.7 87.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.325 0.583 . . . . 0.0 110.005 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.56 -30.71 68.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.615 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.697 ' HA ' ' OG1' ' A' ' 51' ' ' THR . . . -67.19 -39.88 86.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.275 0.559 . . . . 0.0 110.367 178.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.469 ' HA ' ' HB3' ' A' ' 53' ' ' SER . . . -71.81 -37.01 70.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.474 177.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -66.78 -42.61 85.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.188 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.5 t -64.7 -36.9 85.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.512 ' HA ' ' HE ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -79.28 -9.5 59.59 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.183 177.401 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.51 33.78 87.46 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.852 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.46 ' O ' HG21 ' A' ' 92' ' ' VAL . 4.8 t70 -105.55 85.53 2.26 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.341 0.591 . . . . 0.0 110.254 -176.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -54.54 -33.06 59.42 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.556 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.615 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 7.2 tt0 -56.83 -48.44 78.01 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.143 -0.223 . . . . 0.0 110.484 176.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.401 HG22 ' OD1' ' A' ' 88' ' ' ASP . 52.7 t -68.65 -36.9 76.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.419 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' ' 88' ' ' ASP . 62.1 t -57.46 -50.63 76.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.354 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.484 ' O ' HG23 ' A' ' 97' ' ' VAL . 68.7 mttm -66.29 -37.51 85.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.788 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.615 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 52.9 mt-10 -60.95 -49.13 78.7 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.985 0.421 . . . . 0.0 110.539 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.647 HD23 ' HA ' ' A' ' 57' ' ' LYS . 75.2 mt -67.34 -32.69 73.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.685 178.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -59.15 -43.32 92.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.354 176.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 93' ' ' LYS . 97.9 t -62.59 -41.14 90.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -62.94 -37.02 85.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.965 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.3 -37.26 82.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.974 0.416 . . . . 0.0 110.993 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -73.72 -43.4 59.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.446 0.641 . . . . 0.0 109.818 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -56.59 -45.58 81.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.055 175.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.418 HD22 ' HE3' ' A' ' 76' ' ' TRP . 54.3 tp -67.57 -35.13 78.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.361 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.27 -32.52 62.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.58 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -56.59 -45.74 81.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.216 0.532 . . . . 0.0 110.403 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -72.51 -39.24 67.77 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.277 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -71.53 -47.69 53.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.49 -177.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.667 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.655 -178.147 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.444 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 63.7 mt . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.879 0.371 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.4 p -56.98 -41.59 78.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.726 -177.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.9 -41.89 86.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.424 -173.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -74.05 -32.53 63.35 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.219 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 86.3 mt -64.7 -52.8 55.25 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.182 -0.207 . . . . 0.0 111.452 -178.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.25 -32.36 73.98 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 111.079 -177.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.28 99.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.187 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.47 ' HE2' HD21 ' A' ' 21' ' ' LEU . 73.4 mtm -63.77 -45.23 90.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.464 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.83 ' HG ' ' HA ' ' A' ' 17' ' ' ASP . 9.6 mp -59.54 -38.72 81.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.973 0.416 . . . . 0.0 110.595 178.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.6 -18.84 62.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.535 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -94.16 2.4 55.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.986 0.422 . . . . 0.0 111.298 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.33 4.36 50.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.413 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -99.77 55.47 0.95 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.764 0.792 . . . . 0.0 109.183 176.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.83 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 16.8 t70 -71.76 -70.37 0.33 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.56 -174.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.442 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 48.3 m-80 67.36 173.28 0.26 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.267 0.556 . . . . 0.0 111.788 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.699 ' HE1' ' HB3' ' A' ' 49' ' ' ASP . 1.8 tmt? -93.73 -49.98 5.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.069 178.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.84 -33.96 76.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.591 -176.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.47 HD21 ' HE2' ' A' ' 11' ' ' MET . 12.6 tp -71.86 -32.14 67.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.512 -177.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.561 HH11 ' HB2' ' A' ' 44' ' ' ALA . 95.3 mtt180 -61.82 -43.94 97.84 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.145 0.498 . . . . 0.0 110.126 174.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -64.97 -36.78 85.51 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.807 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.2 m -58.43 -35.61 72.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.797 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.9 mt -69.94 -45.54 67.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.814 175.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.94 -47.29 91.97 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 121.077 -0.582 . . . . 0.0 113.049 -175.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -64.62 -36.77 85.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.749 0.309 . . . . 0.0 111.011 -178.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.1 m -69.48 -40.67 76.92 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.87 0.367 . . . . 0.0 111.132 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -62.5 -40.12 95.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.677 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.72 -35.45 79.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.157 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.57 -23.55 66.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -101.98 13.42 34.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 67.58 15.11 9.73 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.726 0.774 . . . . 0.0 110.692 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -89.72 45.64 1.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.918 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.554 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 88.4 m-85 -55.61 -31.28 62.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.335 -176.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -60.68 -46.97 88.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.657 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.6 -27.95 60.69 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.105 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.61 74.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.415 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 35' ' ' PHE . 48.0 mt -49.81 -54.34 33.03 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -174.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -63.08 -40.21 35.04 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 121.837 1.691 . . . . 0.0 112.392 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -71.44 -38.49 71.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.069 -177.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.6 tp -71.11 -42.31 69.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.095 0.474 . . . . 0.0 110.27 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -62.77 -43.97 97.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.487 -178.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.561 ' HB2' HH11 ' A' ' 22' ' ' ARG . . . -64.3 -33.0 74.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.693 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.32 -47.67 63.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.059 0.457 . . . . 0.0 110.793 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 55' ' ' ALA . 66.4 mt -69.53 -25.21 63.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.673 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.89 -42.08 79.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.267 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -82.33 -43.62 17.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.629 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.699 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 11.2 t70 -135.08 88.81 25.52 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 120.889 0.375 . . . . 0.0 111.04 -178.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.21 -4.1 14.58 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.714 2.276 . . . . 0.0 112.416 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.8 p -96.0 23.25 6.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.025 -176.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.466 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 18.2 t80 -86.36 98.27 10.89 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 177.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.626 ' HA ' ' CE3' ' A' ' 56' ' ' TRP . 12.9 m -48.98 -43.73 40.29 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -173.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.466 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 41.3 t -61.72 -36.29 72.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.912 0.387 . . . . 0.0 110.833 -177.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.487 ' HB3' HD22 ' A' ' 46' ' ' LEU . . . -70.17 -28.95 65.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.549 -176.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.631 ' HZ3' ' HA ' ' A' ' 83' ' ' ALA . 31.2 m0 -58.55 -47.97 82.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.06 0.457 . . . . 0.0 110.324 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.624 ' HD2' ' HE2' ' A' ' 98' ' ' PHE . 6.8 ttpm? -67.21 -34.82 78.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.215 178.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -66.14 -33.06 74.93 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.307 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.431 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 71.3 mt -55.27 -51.71 65.76 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.076 0.235 . . . . 0.0 111.253 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.431 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -61.56 -40.4 98.66 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.443 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -69.51 -40.95 76.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.618 0.247 . . . . 0.0 111.181 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.554 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 23.6 m -67.73 -42.24 82.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.787 -179.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 59' ' ' LEU . 82.4 mt -67.38 -34.94 78.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.446 177.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -64.96 -42.47 94.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.401 176.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.89 -35.11 85.77 Favored Glycine 0 C--O 1.228 -0.266 0 C-N-CA 121.066 -0.587 . . . . 0.0 111.998 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -49.48 66.16 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 173.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.32 9.56 2.07 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.309 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -82.98 86.63 6.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.565 0.222 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.633 ' HD3' ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -65.39 -37.22 86.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.673 176.744 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.633 ' N ' ' HD3' ' A' ' 69' ' ' ARG . . . -69.16 -47.64 64.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.517 177.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.99 -43.34 99.31 Favored Glycine 0 C--N 1.33 0.229 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.866 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.59 -47.35 82.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.792 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.633 ' HG3' HD11 ' A' ' 99' ' ' LEU . 78.6 ttt180 -62.7 -45.57 92.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.678 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -57.32 -46.15 83.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.913 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.21 98.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.551 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.431 ' NE1' ' HA3' ' A' ' 60' ' ' GLY . 27.0 m0 -71.89 -43.51 65.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.334 -176.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -67.32 -42.96 82.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.72 0.295 . . . . 0.0 111.256 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.4 t -73.47 -39.03 65.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -177.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.99 -14.46 76.07 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.706 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.1 tp -60.92 -49.12 78.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.165 0.507 . . . . 0.0 110.481 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.94 -32.64 73.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.211 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.92 -45.89 83.96 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.631 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -65.28 -40.13 93.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.752 178.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.759 HE21 HG22 ' A' ' 92' ' ' VAL . 18.4 mm-40 -58.95 -47.29 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 174.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.7 t -58.25 -41.55 84.49 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.806 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.42 ' HD2' ' HH2' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -77.58 -14.69 59.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.46 22.81 66.56 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.949 -176.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.518 ' O ' HG23 ' A' ' 92' ' ' VAL . 3.6 m-20 -82.98 81.58 8.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.343 0.592 . . . . 0.0 110.372 -178.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -56.92 -43.79 81.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.995 -1.002 . . . . 0.0 112.318 -177.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -62.17 -45.11 94.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.739 0.304 . . . . 0.0 110.269 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.3 t -65.89 -39.96 86.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.872 -175.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.759 HG22 HE21 ' A' ' 84' ' ' GLN . 98.1 t -58.67 -51.78 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.094 0.473 . . . . 0.0 110.27 177.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.547 ' O ' HG21 ' A' ' 97' ' ' VAL . 56.9 mtmt -67.57 -36.56 81.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.57 -176.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -58.8 -49.24 78.43 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 121.129 0.49 . . . . 0.0 110.434 175.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 57' ' ' LYS . 83.8 mt -61.64 -44.68 96.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.245 -178.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.531 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 98.4 mt-30 -56.96 -41.56 78.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.547 HG21 ' O ' ' A' ' 93' ' ' LYS . 79.8 t -61.13 -51.23 75.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.522 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.624 ' HE2' ' HD2' ' A' ' 57' ' ' LYS . 61.4 m-85 -65.62 -36.4 83.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.743 0.306 . . . . 0.0 111.283 -175.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.633 HD11 ' HG3' ' A' ' 73' ' ' ARG . 42.2 tp -59.15 -40.48 85.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.31 -178.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 7.4 mtp180 -75.93 -43.8 43.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.247 0.546 . . . . 0.0 110.365 -177.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -56.62 -37.89 71.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.01 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 63.5 tp -66.88 -42.7 85.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.996 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.99 -32.58 69.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.626 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -60.21 -47.29 86.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.971 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -73.37 -35.27 65.92 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.701 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.56 -47.47 54.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.896 0.379 . . . . 0.0 111.372 -177.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.18 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.426 HG22 ' CG2' ' A' ' 24' ' ' THR . 41.2 mm . . . . . 0 CA--C 1.535 0.386 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.404 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 28.3 m -62.22 -53.19 58.82 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -171.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.03 -41.48 96.65 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -175.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 7' ' ' ARG . 11.3 ptm85 -73.08 -32.03 64.75 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.536 -176.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.4 mt -67.92 -38.22 82.64 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.702 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 5' ' ' THR . 39.9 mt-10 -60.2 -30.3 69.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.467 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.94 -30.78 68.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.063 0.459 . . . . 0.0 110.767 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 63.4 mtt -75.39 -31.6 60.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.264 0.554 . . . . 0.0 109.904 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.05 -28.36 68.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.454 177.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.58 -19.44 65.92 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.664 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -95.96 -6.73 38.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.473 175.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.51 42.91 79.76 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.407 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.8 m -149.79 99.12 2.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.075 0.464 . . . . 0.0 111.329 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -127.56 175.36 8.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.834 174.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.64 177.18 7.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.865 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -62.01 -42.6 99.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.556 -176.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tt -55.29 -43.44 74.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.14 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.14 -43.92 93.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.686 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.428 ' HA ' ' HD3' ' A' ' 22' ' ' ARG . 20.4 mmt180 -58.91 -44.51 91.28 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.78 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -65.94 -44.52 84.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.522 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.426 ' CG2' HG22 ' A' ' 4' ' ' ILE . 29.3 m -62.92 -37.66 87.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.086 -178.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.3 mt -60.86 -49.66 76.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.55 177.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.7 -38.91 96.23 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.689 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -56.74 -42.03 78.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.044 0.45 . . . . 0.0 110.306 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.4 m -66.75 -41.73 87.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.124 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -65.08 -41.28 95.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.653 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.31 83.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.033 0.444 . . . . 0.0 110.592 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.06 -22.34 61.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.392 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -87.08 3.56 45.68 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 67.06 21.07 10.28 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.764 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -104.54 73.64 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 175.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -65.65 -34.84 79.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.866 -174.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -56.72 -45.27 81.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.346 0.594 . . . . 0.0 111.183 -176.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.11 -26.87 61.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.023 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.74 -37.69 85.15 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.362 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mp -49.62 -55.22 24.19 Favored Pre-proline 0 N--CA 1.474 0.769 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -172.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -63.63 -36.4 53.09 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.631 1.554 . . . . 0.0 112.34 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -71.7 -41.57 68.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.041 -176.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.437 ' HB3' HD22 ' A' ' 59' ' ' LEU . 95.9 mt -69.4 -38.02 77.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.745 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -62.68 -40.33 96.78 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.67 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.68 88.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.211 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.17 -47.61 64.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.061 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.452 HD22 ' HB1' ' A' ' 55' ' ' ALA . 66.7 mt -64.36 -25.36 68.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.374 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -60.06 -36.44 77.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.502 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -76.32 -44.48 36.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.333 178.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -145.4 88.62 6.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.979 0.419 . . . . 0.0 111.335 -172.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -69.35 -7.96 22.32 Favored 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 123.169 2.579 . . . . 0.0 113.621 -175.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.416 ' HA ' ' HZ2' ' A' ' 56' ' ' TRP . 10.9 t -91.32 19.21 6.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.118 0.485 . . . . 0.0 111.321 -177.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -76.96 87.95 3.5 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.562 ' HB3' HG22 ' A' ' 91' ' ' VAL . 16.9 m -50.07 -40.22 44.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.682 -175.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.425 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 43.3 t -59.41 -37.9 72.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.99 0.424 . . . . 0.0 111.068 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.452 ' HB1' HD22 ' A' ' 46' ' ' LEU . . . -72.13 -31.05 65.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.752 -174.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.501 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 37.6 m0 -56.74 -48.24 78.23 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.254 0.55 . . . . 0.0 110.495 -177.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.687 ' HA ' HD21 ' A' ' 95' ' ' LEU . 16.8 ttpt -66.17 -38.74 88.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.609 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.425 ' HD1' ' O ' ' A' ' 54' ' ' VAL . 73.8 m95 -75.28 -41.81 56.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.437 HD22 ' HB3' ' A' ' 42' ' ' LEU . 3.4 mm? -56.97 -47.51 80.56 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.963 0.411 . . . . 0.0 111.079 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.04 -40.59 97.24 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.396 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -71.08 -26.22 62.96 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 121.185 0.517 . . . . 0.0 110.471 -179.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.2 m -70.47 -32.93 70.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.126 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.593 ' HA ' HE21 ' A' ' 66' ' ' GLN . 85.2 mt -69.27 -38.07 78.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.11 0.481 . . . . 0.0 109.803 174.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -56.93 -43.2 81.22 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.663 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.2 -11.35 55.37 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.689 -0.687 . . . . 0.0 113.38 -177.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.593 HE21 ' HA ' ' A' ' 63' ' ' LEU . 49.9 mt-30 -91.61 -7.51 49.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.838 0.351 . . . . 0.0 110.942 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.36 -17.3 51.43 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.311 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -87.77 80.17 7.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.464 0.65 . . . . 0.0 110.477 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.53 ' HB2' HD11 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -67.21 -29.41 69.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.681 179.756 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.25 -46.68 72.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 110.817 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.05 -31.2 77.19 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.415 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.01 -51.03 66.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.591 -0.305 . . . . 0.0 111.255 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.559 ' HD3' HD13 ' A' ' 102' ' ' LEU . 48.1 ptt85 -67.16 -33.63 75.82 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.029 -178.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -61.64 -39.8 92.62 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.012 0.435 . . . . 0.0 110.324 175.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.77 91.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.5 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.491 ' CD1' HD23 ' A' ' 95' ' ' LEU . 19.4 m0 -67.28 -36.23 81.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.579 178.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -59.43 -43.59 93.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.014 174.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.4 m -73.28 -39.16 65.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.18 -27.72 73.55 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.1 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.54 -52.17 66.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.227 0.537 . . . . 0.0 110.114 177.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.29 -32.16 72.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.026 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.52 -48.25 78.31 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.421 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -62.47 -43.53 98.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.725 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.814 HE21 HG23 ' A' ' 92' ' ' VAL . 24.1 mm-40 -58.6 -48.32 81.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.083 176.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.2 t -64.47 -39.34 93.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.413 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.41 ' HD2' ' HA ' ' A' ' 86' ' ' ARG . 22.8 mmm180 -84.23 -13.58 52.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.969 0.414 . . . . 0.0 111.039 -175.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.85 36.2 8.63 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.096 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -114.23 91.55 3.67 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.194 0.521 . . . . 0.0 109.668 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -65.28 -37.52 87.42 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.17 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.499 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 48.5 tt0 -56.39 -47.51 78.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.111 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.562 HG22 ' HB3' ' A' ' 53' ' ' SER . 60.2 t -60.68 -39.35 81.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.956 0.408 . . . . 0.0 110.103 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.814 HG23 HE21 ' A' ' 84' ' ' GLN . 89.3 t -58.73 -49.99 80.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.373 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -66.69 -36.51 82.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.466 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 40.9 mt-10 -61.91 -49.37 76.47 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.007 0.432 . . . . 0.0 110.192 176.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.687 HD21 ' HA ' ' A' ' 57' ' ' LYS . 75.9 mt -66.36 -32.79 74.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.079 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.598 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 76.2 mm-40 -56.36 -36.92 69.36 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.693 -0.23 . . . . 0.0 110.745 176.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.24 -45.31 98.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.935 0.398 . . . . 0.0 110.296 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -64.69 -35.84 82.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.62 178.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.8 -37.9 83.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.516 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.598 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 7.1 mmp_? -69.88 -49.43 52.31 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.496 0.665 . . . . 0.0 109.718 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -56.84 -46.5 81.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.072 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.559 HD13 ' HD3' ' A' ' 73' ' ' ARG . 0.3 OUTLIER -67.6 -38.84 84.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.682 -178.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.0 83.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.739 -177.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -65.19 -31.93 73.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.663 0.268 . . . . 0.0 110.914 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -70.0 -47.0 63.91 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.103 0.478 . . . . 0.0 110.62 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -71.49 -34.53 70.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.482 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.348 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.358 -179.304 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.469 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 60.5 mt . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 121.372 0.606 . . . . 0.0 109.78 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.432 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 16.2 p -59.73 -39.1 83.6 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.234 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.36 -42.17 95.21 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -176.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 4' ' ' ILE . 19.1 ptp180 -73.56 -32.7 64.31 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.589 178.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 96.7 mt -65.67 -48.06 73.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.477 177.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 5' ' ' THR . 9.5 mm-40 -53.07 -37.1 61.35 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.706 178.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.41 -49.75 72.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.084 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 72.3 mtm -62.15 -31.83 72.37 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.779 0.323 . . . . 0.0 111.446 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.652 ' HG ' ' HB2' ' A' ' 17' ' ' ASP . 10.0 mp -63.16 -33.63 75.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.709 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.01 -22.41 64.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.668 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -77.46 -2.22 34.25 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.815 0.34 . . . . 0.0 110.76 176.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.7 10.49 52.88 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.348 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -95.41 39.64 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.708 0.766 . . . . 0.0 110.426 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.652 ' HB2' ' HG ' ' A' ' 12' ' ' LEU . 10.7 t0 -109.35 114.34 27.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.274 178.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -114.95 -68.2 0.94 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.146 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -170.78 -44.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.723 HD23 ' HE2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -59.65 -45.88 90.68 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.243 -174.489 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.426 ' N ' HD13 ' A' ' 21' ' ' LEU . 6.1 mp -73.68 -22.42 59.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.066 0.46 . . . . 0.0 110.592 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.44 ' HD3' ' OD1' ' A' ' 17' ' ' ASP . 20.5 ttp180 -77.57 -45.57 24.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.771 -170.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.723 ' HE2' HD23 ' A' ' 20' ' ' LEU . 25.5 p90 -70.2 -31.66 69.21 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.075 177.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.5 m -58.08 -35.51 71.5 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.755 177.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.7 mt -61.88 -49.48 76.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.318 175.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.589 ' HA3' ' HG ' ' A' ' 42' ' ' LEU . . . -59.5 -42.12 97.48 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.321 -178.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -56.59 -48.91 76.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.074 0.464 . . . . 0.0 110.567 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 14.9 m -69.36 -40.34 77.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.593 -175.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -62.97 -41.5 99.56 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 121.178 -0.209 . . . . 0.0 110.843 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.28 -45.35 84.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.167 0.508 . . . . 0.0 110.579 -178.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -67.92 -22.47 65.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.979 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 28' ' ' THR . 0.7 OUTLIER -92.5 10.94 28.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.901 -177.489 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 67.32 26.06 8.6 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.769 0.795 . . . . 0.0 110.68 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -110.0 46.1 1.05 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 175.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -50.33 -43.25 53.89 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.649 -172.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.7 -38.26 90.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.138 0.494 . . . . 0.0 110.837 -176.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.29 -27.71 61.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.968 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.65 -37.99 80.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.406 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.698 HD11 ' HG3' ' A' ' 66' ' ' GLN . 98.3 mt -51.96 -53.65 49.21 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 -172.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 14.7 Cg_endo -58.44 -42.16 58.02 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 122.097 1.865 . . . . 0.0 112.738 -179.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -68.48 -42.33 78.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.578 0.228 . . . . 0.0 111.013 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.589 ' HG ' ' HA3' ' A' ' 26' ' ' GLY . 81.2 mt -66.61 -42.25 87.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.55 178.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 43' ' ' ARG . 19.9 ttt180 -65.23 -41.99 93.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.415 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.63 -32.8 74.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.901 0.381 . . . . 0.0 110.946 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.38 -47.42 82.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.851 0.357 . . . . 0.0 110.46 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' A' ' 55' ' ' ALA . 82.7 mt -71.27 -25.51 62.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.772 178.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.33 -38.62 84.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.15 0.5 . . . . 0.0 110.446 176.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.426 ' HB2' ' NH2' ' A' ' 22' ' ' ARG . 75.7 t80 -80.79 -44.0 19.24 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.885 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -145.7 89.67 6.13 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 120.885 0.374 . . . . 0.0 110.299 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -66.66 -5.2 12.49 Favored 'Trans proline' 0 N--CA 1.472 0.255 0 C-N-CA 123.252 2.634 . . . . 0.0 113.547 -173.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.5 m -98.95 55.36 1.02 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.329 0.585 . . . . 0.0 110.693 -177.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.416 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 11.0 t80 -121.93 90.58 3.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.541 173.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.579 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 3.0 m -50.55 -34.36 25.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.849 -1.069 . . . . 0.0 113.403 -173.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.416 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 42.3 t -62.6 -38.71 82.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.881 0.372 . . . . 0.0 110.935 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.455 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -72.78 -28.26 62.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.753 -175.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.579 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 39.9 m0 -59.97 -49.85 76.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.959 0.409 . . . . 0.0 110.559 -177.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.447 ' HB3' HD23 ' A' ' 95' ' ' LEU . 9.9 pttp -67.78 -33.03 74.03 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 178.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.68 ' CE3' ' HD3' ' A' ' 61' ' ' LYS . 41.1 m95 -58.38 -45.83 87.54 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 110.681 -0.118 . . . . 0.0 110.681 176.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.1 mt -55.61 -49.75 71.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.416 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.03 -47.61 89.93 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 121.158 -0.544 . . . . 0.0 113.166 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.68 ' HD3' ' CE3' ' A' ' 58' ' ' TRP . 14.7 ptmm? -69.95 -24.79 63.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.89 0.376 . . . . 0.0 110.606 -177.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.2 m -74.91 -37.83 61.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.125 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.72 -31.28 72.19 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -178.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -62.13 -47.68 83.5 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.16 -16.04 79.28 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.128 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.698 ' HG3' HD11 ' A' ' 39' ' ' LEU . 26.0 tm0? -71.91 -26.86 62.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.76 -20.88 5.1 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.418 176.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -97.25 83.68 3.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.283 0.563 . . . . 0.0 110.418 -175.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -65.33 -41.28 94.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.467 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.39 -36.69 79.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.849 0.357 . . . . 0.0 110.568 176.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.86 -36.08 91.68 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.106 177.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.11 -49.19 77.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 110.418 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 54.0 ttp85 -57.9 -48.27 80.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.446 177.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -60.64 -38.99 86.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.251 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.83 95.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.561 ' CD1' HD22 ' A' ' 95' ' ' LEU . 13.3 m0 -66.62 -35.95 81.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.514 178.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 73' ' ' ARG . 46.3 mt-10 -61.01 -42.17 97.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.15 0.5 . . . . 0.0 110.119 176.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.6 t -68.35 -46.28 70.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.564 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.39 -28.26 73.63 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.387 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.425 HD12 HG12 ' A' ' 92' ' ' VAL . 12.9 tp -62.1 -53.47 54.99 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 120.668 0.271 . . . . 0.0 110.277 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.07 -33.16 71.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.913 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.24 -43.49 91.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.158 0.504 . . . . 0.0 109.9 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.561 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -69.27 -38.56 78.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.657 178.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.477 HE21 ' HA ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -61.9 -45.73 92.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.512 177.089 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 t -61.52 -39.84 92.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.041 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.468 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 0.1 OUTLIER -76.64 -15.18 59.88 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.37 179.618 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.35 21.56 75.13 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.268 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.426 ' OD2' ' HB3' ' A' ' 86' ' ' ARG . 29.3 m-20 -85.61 80.03 9.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.284 0.564 . . . . 0.0 110.131 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -56.52 -39.59 73.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.388 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.441 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 43.7 tt0 -56.13 -47.02 78.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.077 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.535 HG23 ' HB3' ' A' ' 53' ' ' SER . 58.3 t -69.05 -37.66 77.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.074 -176.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.425 HG12 HD12 ' A' ' 80' ' ' LEU . 96.9 t -58.17 -48.71 83.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.276 176.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.435 ' O ' HG23 ' A' ' 97' ' ' VAL . 74.9 mmtt -61.8 -42.23 98.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.36 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 45.8 mt-10 -58.84 -48.32 81.76 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.876 0.369 . . . . 0.0 110.69 177.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.561 HD22 ' CD1' ' A' ' 76' ' ' TRP . 81.3 mt -66.74 -37.18 84.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.396 -178.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.668 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 13.9 mm100 -57.16 -39.92 76.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.2 178.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 93' ' ' LYS . 74.1 t -60.77 -46.68 95.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 120.666 0.269 . . . . 0.0 110.655 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -66.06 -41.95 90.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.004 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.435 HD23 ' HB2' ' A' ' 76' ' ' TRP . 67.4 mt -59.22 -34.68 72.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.713 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.668 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 57.5 mtm180 -69.09 -47.56 64.91 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 121.763 0.792 . . . . 0.0 110.068 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -67.02 -37.27 83.83 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.306 -1.315 . . . . 0.0 111.145 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.4 ' O ' HD11 ' A' ' 102' ' ' LEU . 0.7 OUTLIER -64.81 -40.65 95.56 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.545 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.42 -31.89 68.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.974 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 57.9 mtp180 -67.09 -28.93 68.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -75.2 -40.8 58.98 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.048 0.452 . . . . 0.0 110.124 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -59.99 -43.54 95.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.099 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.249 179.899 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.443 ' O ' HD22 ' A' ' 8' ' ' LEU . 50.3 mm . . . . . 0 N--CA 1.462 0.171 0 CA-C-O 120.88 0.371 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -56.79 -42.65 79.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.859 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -57.14 -50.76 71.82 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -74.2 -32.8 63.2 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.038 -176.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.472 HD13 ' HB2' ' A' ' 21' ' ' LEU . 4.4 mm? -66.19 -45.47 80.72 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.006 175.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 5' ' ' THR . 47.1 mt-10 -64.62 -33.0 74.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.474 177.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.65 -49.61 62.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.357 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.483 ' HE2' HG23 ' A' ' 16' ' ' THR . 25.9 ptm -71.02 -26.09 62.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.963 0.411 . . . . 0.0 110.831 -178.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.9 tp -59.6 -38.26 80.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.652 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.09 -34.27 70.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.301 -0.863 . . . . 0.0 113.03 -173.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -88.29 14.53 9.27 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.696 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.47 50.24 2.41 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.997 175.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.5 ' O ' HD21 ' A' ' 21' ' ' LEU . 6.9 m -113.85 75.96 0.96 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 173.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -112.46 104.14 12.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.795 -171.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.568 ' OD1' ' HG ' ' A' ' 21' ' ' LEU . 31.3 p30 -148.38 174.08 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.705 178.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.507 ' HG3' ' HB3' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -77.61 -20.42 53.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.941 -177.112 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 tt -63.98 -57.05 10.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.475 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.568 ' HG ' ' OD1' ' A' ' 18' ' ' ASN . 3.0 pp -73.64 -21.85 60.16 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.449 -177.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 18' ' ' ASN . 70.0 mtt180 -70.48 -37.64 74.28 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.01 174.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -68.93 -46.51 68.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.074 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.553 HG23 ' HA ' ' A' ' 21' ' ' LEU . 13.0 t -60.45 -34.19 73.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.657 0.265 . . . . 0.0 111.026 -177.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.9 mt -71.11 -46.78 61.04 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.47 ' HA2' ' CD2' ' A' ' 29' ' ' TYR . . . -61.75 -42.1 99.7 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.61 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -58.79 -38.67 79.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.705 0.288 . . . . 0.0 110.683 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.1 m -65.48 -35.28 80.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.685 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.599 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 18.9 m-85 -67.95 -42.47 80.9 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 175.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.88 -38.8 89.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.879 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.9 -23.64 66.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.078 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -101.32 14.75 30.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.954 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.41 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 29.9 tt0 65.53 22.53 11.8 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.689 176.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.599 ' HB2' ' HB3' ' A' ' 29' ' ' TYR . 47.9 mt-30 -87.57 45.82 1.31 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.302 0.573 . . . . 0.0 109.478 176.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 79.9 m-85 -59.97 -31.9 70.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.4 -172.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -59.74 -42.97 94.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.217 0.532 . . . . 0.0 110.427 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.68 -37.02 62.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.077 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.36 -38.47 71.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.095 -176.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.459 ' HB3' ' HD3' ' A' ' 40' ' ' PRO . 3.3 tt -50.52 -54.77 31.75 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -172.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.459 ' HD3' ' HB3' ' A' ' 39' ' ' LEU . 55.9 Cg_endo -71.14 -30.86 15.52 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 121.517 1.478 . . . . 0.0 112.173 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -71.58 -40.65 69.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.102 0.477 . . . . 0.0 110.29 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.5 mt -72.27 -40.61 67.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.924 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -58.6 -43.74 89.66 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.5 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.85 81.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.252 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.36 94.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.485 HD22 ' HB1' ' A' ' 55' ' ' ALA . 48.8 mt -68.72 -26.78 65.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.122 178.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.86 -36.92 70.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.151 0.5 . . . . 0.0 110.014 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -70.85 -44.51 66.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.337 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.507 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 10.5 t70 -149.07 88.85 5.01 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.938 0.399 . . . . 0.0 110.774 -176.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.07 -5.59 9.66 Favored 'Trans proline' 0 N--CA 1.474 0.334 0 C-N-CA 123.427 2.751 . . . . 0.0 113.686 -175.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.43 6.52 19.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.836 0.351 . . . . 0.0 111.916 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -83.51 81.87 8.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.946 0.403 . . . . 0.0 109.916 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.473 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 2.3 m -54.79 -38.27 67.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.28 -176.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.3 t -62.19 -35.59 69.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.109 0.48 . . . . 0.0 110.589 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.485 ' HB1' HD22 ' A' ' 46' ' ' LEU . . . -68.71 -30.07 68.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.467 -177.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.473 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 23.8 m0 -60.51 -47.09 87.68 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.813 0.816 . . . . 0.0 109.431 177.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.984 ' HA ' HD23 ' A' ' 95' ' ' LEU . 86.9 tttt -65.35 -43.16 91.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.326 -176.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.466 ' HA ' ' HD3' ' A' ' 61' ' ' LYS . 65.5 m95 -75.06 -28.9 60.56 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 55' ' ' ALA . 2.1 tm? -58.96 -50.96 72.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.327 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.33 -39.22 94.43 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.311 179.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 58' ' ' TRP . 27.5 mtpp -61.29 -36.18 79.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.143 0.497 . . . . 0.0 110.563 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.514 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 25.3 m -69.57 -40.13 76.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.834 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.454 HD23 HD12 ' A' ' 59' ' ' LEU . 3.4 mm? -62.08 -39.66 93.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.121 177.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -66.43 -37.08 84.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.08 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.04 -24.46 62.99 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.379 176.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -34.03 62.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.05 -26.16 4.79 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.64 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -88.96 96.59 10.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.453 0.644 . . . . 0.0 110.49 -176.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 69' ' ' ARG . 17.5 ptt-85 -65.33 -24.24 67.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.065 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.66 94.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.36 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.48 -33.64 63.94 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.443 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.57 -50.99 71.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.616 0.245 . . . . 0.0 110.79 177.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -65.78 -37.85 87.44 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.455 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -44.07 86.28 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.138 0.494 . . . . 0.0 109.847 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.36 89.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.256 178.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.598 ' CD1' HD22 ' A' ' 95' ' ' LEU . 14.5 m0 -65.89 -41.6 91.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.372 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.8 -37.16 85.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.777 0.323 . . . . 0.0 110.924 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.2 m -70.22 -46.73 63.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.406 177.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.09 -29.19 74.73 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.183 178.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 tp -61.22 -50.62 72.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.136 0.493 . . . . 0.0 109.727 176.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.38 -31.93 73.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.702 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.64 86.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.012 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.24 92.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.586 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -62.04 -44.12 97.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.934 175.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.6 t -61.6 -33.04 73.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.822 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.493 ' HA ' ' NE ' ' A' ' 86' ' ' ARG . 2.9 mmp_? -84.74 -15.26 45.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.786 0.326 . . . . 0.0 111.764 178.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.66 30.98 34.32 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.745 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -105.18 83.65 2.0 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.016 0.436 . . . . 0.0 111.064 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -59.2 -35.01 72.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.911 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.555 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 39.0 tt0 -56.18 -47.66 77.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 45.9 t -68.55 -37.96 78.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.14 -176.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.5 t -58.5 -45.12 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.429 177.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.405 ' O ' HG22 ' A' ' 97' ' ' VAL . 57.6 mtmt -66.91 -41.3 87.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.097 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 76.0 mt-10 -63.75 -49.4 73.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.866 0.365 . . . . 0.0 111.317 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.984 HD23 ' HA ' ' A' ' 57' ' ' LYS . 23.9 mt -67.25 -31.95 72.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.457 -178.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -60.04 -34.09 72.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.762 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.554 ' HA ' ' HG3' ' A' ' 100' ' ' ARG . 64.5 t -59.55 -39.46 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 120.791 0.329 . . . . 0.0 110.853 -177.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -64.76 -42.65 94.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.956 0.408 . . . . 0.0 109.919 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.06 -31.67 72.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.654 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.554 ' HG3' ' HA ' ' A' ' 97' ' ' VAL . 1.4 mtp180 -63.8 -47.79 79.47 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 120.999 0.428 . . . . 0.0 110.3 -179.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -72.97 -36.64 67.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.373 178.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.33 -45.01 88.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.972 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.37 -32.27 73.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.074 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 78.6 mtp180 -68.39 -47.03 68.41 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 177.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -62.91 -39.8 95.64 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.09 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -69.6 -46.25 66.71 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.919 0.39 . . . . 0.0 110.544 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.735 -179.188 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.481 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 50.7 mm . . . . . 0 N--CA 1.462 0.128 0 CA-C-O 120.975 0.417 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.571 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -57.65 -36.04 71.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.076 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -66.6 -46.33 76.26 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -176.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -67.18 -31.59 72.09 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.009 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.615 ' O ' ' HG2' ' A' ' 11' ' ' MET . 96.2 mt -65.24 -41.57 94.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.465 175.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 5' ' ' THR . 50.6 mt-10 -62.15 -40.26 95.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.117 0.484 . . . . 0.0 110.544 175.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.66 -41.72 83.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.878 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.615 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 20.9 ptm -62.66 -25.77 68.31 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 111.512 0.189 . . . . 0.0 111.512 -176.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.402 HD13 HD22 ' A' ' 21' ' ' LEU . 8.6 mp -60.09 -44.48 94.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.92 0.39 . . . . 0.0 110.52 174.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.87 -6.9 54.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.049 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -92.49 3.66 55.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.53 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.17 58.82 2.39 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.851 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.0 m -153.24 103.51 2.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.771 0.32 . . . . 0.0 110.574 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -136.0 115.85 13.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.107 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.463 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 60.3 m-80 -132.81 165.26 24.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.351 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -63.96 -47.91 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 tp -60.83 -30.97 70.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.91 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.402 HD22 HD13 ' A' ' 12' ' ' LEU . 9.3 tt -66.52 -47.9 71.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.963 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 18' ' ' ASN . 41.4 mtt180 -63.02 -36.23 82.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.041 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -66.68 -40.41 88.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.386 175.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.6 m -60.57 -37.13 80.29 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.558 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.557 ' O ' ' HD2' ' A' ' 29' ' ' TYR . 90.0 mt -61.41 -50.04 74.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.211 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.43 -43.19 97.65 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.093 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -57.45 -49.27 76.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.938 0.399 . . . . 0.0 110.735 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.0 m -64.64 -42.08 95.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.39 -176.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.557 ' HD2' ' O ' ' A' ' 25' ' ' LEU . 42.0 m-85 -64.73 -40.09 94.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.726 177.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.17 -40.8 90.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.402 . . . . 0.0 110.839 -178.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -65.24 -25.99 67.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.873 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -92.41 10.42 30.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.46 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 68.72 16.54 8.95 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.548 0.689 . . . . 0.0 110.779 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -91.16 46.28 1.3 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.212 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -50.37 -45.11 54.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.419 -0.809 . . . . 0.0 112.636 -172.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -60.15 -45.39 93.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.144 0.497 . . . . 0.0 110.761 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.9 -27.47 64.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.399 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.04 -37.87 84.85 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.987 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.6 mt -51.86 -54.31 41.69 Favored Pre-proline 0 CA--C 1.541 0.599 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -173.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -62.86 -31.34 77.83 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 122.051 1.834 . . . . 0.0 112.34 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -71.97 -39.73 69.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.921 0.391 . . . . 0.0 110.399 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.2 mt -71.0 -42.06 70.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.387 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -64.67 -32.55 74.26 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.226 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.3 94.8 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.006 0.431 . . . . 0.0 110.51 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.424 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . . . -68.43 -46.3 70.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.557 177.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.436 HD23 ' HB1' ' A' ' 55' ' ' ALA . 88.8 mt -66.87 -25.46 66.42 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.554 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -58.88 -45.92 89.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.114 0.483 . . . . 0.0 110.37 177.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -81.43 -44.46 17.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.189 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -139.02 88.19 13.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 121.198 0.523 . . . . 0.0 110.507 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.76 -2.96 12.23 Favored 'Trans proline' 0 CA--C 1.526 0.123 0 C-N-CA 123.106 2.538 . . . . 0.0 113.23 -177.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.61 15.74 2.01 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -170.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -92.64 96.69 10.34 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.004 -0.435 . . . . 0.0 110.496 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.807 ' HB3' HG23 ' A' ' 91' ' ' VAL . 15.5 m -55.59 -38.25 69.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.825 -174.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.3 t -58.15 -37.09 60.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 120.891 0.377 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.436 ' HB1' HD23 ' A' ' 46' ' ' LEU . . . -66.9 -28.99 68.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.04 -178.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.609 ' HH2' ' HG3' ' A' ' 86' ' ' ARG . 13.9 m0 -70.03 -44.74 68.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.392 0.615 . . . . 0.0 109.509 179.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.776 ' HA ' HD21 ' A' ' 95' ' ' LEU . 79.2 tttt -65.15 -39.1 92.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.966 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -74.74 -28.64 60.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.926 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -56.57 -50.75 71.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 110.482 -177.506 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.26 -41.07 99.66 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.033 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -61.51 -38.23 86.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.94 0.4 . . . . 0.0 111.366 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 49.9 m -64.55 -44.74 89.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.092 -178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.1 -33.72 73.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.109 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -40.27 85.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.343 . . . . 0.0 110.243 175.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.04 -37.98 94.87 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.954 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -68.21 -23.17 64.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.143 0.496 . . . . 0.0 110.331 177.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.84 26.25 8.6 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.894 -0.67 . . . . 0.0 113.441 172.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -113.29 101.31 9.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.452 0.644 . . . . 0.0 110.245 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -62.58 -45.92 90.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.754 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' A' ' 73' ' ' ARG . . . -62.64 -44.02 97.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 111.652 -177.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.55 -38.07 93.08 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.847 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.4 -47.63 81.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.536 0.208 . . . . 0.0 111.253 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.644 ' HB3' HD21 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -65.07 -43.22 92.93 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.558 -177.777 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -68.94 -33.58 73.95 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.497 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.407 ' HB2' HD12 ' A' ' 59' ' ' LEU . . . -64.04 -45.42 88.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.358 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 4.6 m0 -66.96 -41.77 86.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.447 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.95 -40.38 93.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.007 0.432 . . . . 0.0 110.406 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 m -71.36 -41.34 69.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.444 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.46 -33.15 83.88 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.177 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.76 -48.58 80.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.119 0.485 . . . . 0.0 109.742 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.85 -31.36 72.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.131 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.49 84.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.095 0.474 . . . . 0.0 110.003 175.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.591 ' HA ' ' CZ3' ' A' ' 56' ' ' TRP . . . -65.6 -40.73 92.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.831 177.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.26 -43.19 99.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.308 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.7 t -60.19 -40.19 89.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.731 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.716 ' HD2' ' HB2' ' A' ' 88' ' ' ASP . 2.0 tmt_? -76.08 -14.34 60.2 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 122.993 0.517 . . . . 0.0 111.031 177.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.6 19.58 74.87 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.944 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.716 ' HB2' ' HD2' ' A' ' 86' ' ' ARG . 32.0 t0 -86.6 78.4 9.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.619 0.723 . . . . 0.0 109.535 -175.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -61.47 -33.99 74.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.923 -1.035 . . . . 0.0 112.215 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -57.14 -45.84 83.2 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.528 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.807 HG23 ' HB3' ' A' ' 53' ' ' SER . 72.0 t -72.19 -36.66 56.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.86 178.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.542 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 71.2 t -56.46 -47.37 81.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -61.48 -35.96 79.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.149 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -68.19 -44.74 75.18 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.878 0.37 . . . . 0.0 110.707 177.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.776 HD21 ' HA ' ' A' ' 57' ' ' LYS . 48.5 mt -65.64 -36.1 82.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.439 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.542 ' HG2' ' O ' ' A' ' 92' ' ' VAL . 18.6 mm-40 -56.44 -34.75 67.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.953 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 58.3 t -61.35 -41.15 88.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.955 0.407 . . . . 0.0 110.514 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -67.3 -32.89 74.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.084 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.38 -37.03 86.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.605 177.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.537 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 39.4 mtt180 -69.36 -45.16 70.03 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.875 0.845 . . . . 0.0 108.84 178.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -55.36 -47.51 75.64 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 113.816 -1.538 . . . . 0.0 110.419 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.644 HD21 ' HB3' ' A' ' 73' ' ' ARG . 41.5 tp -69.68 -41.3 75.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.421 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.23 73.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.31 -0.404 . . . . 0.0 112.045 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 46.3 mtp180 -62.14 -29.67 70.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.694 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -76.4 -47.83 21.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.219 0.533 . . . . 0.0 111.185 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -64.49 -47.28 79.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.851 -173.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.73 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.319 -177.652 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.581 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 51.2 mm . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 121.0 0.429 . . . . 0.0 110.608 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 p -65.44 -39.89 92.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.956 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -71.18 -36.27 71.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.586 -175.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -69.54 -31.49 69.74 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.352 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 96.4 mt -62.52 -41.92 99.18 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.849 0.357 . . . . 0.0 110.247 175.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -61.23 -40.56 94.46 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.751 175.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.541 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -64.73 -49.5 70.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.474 -179.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.0 ptm -68.09 -29.96 69.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.731 0.3 . . . . 0.0 110.978 -177.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -64.54 -43.34 94.29 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 176.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.08 -7.56 54.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.658 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 28.8 mm-40 -83.33 -3.41 57.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 111.024 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.59 34.3 4.47 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.333 176.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.4 m -128.0 87.38 2.6 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.041 0.448 . . . . 0.0 109.84 173.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.24 146.12 30.61 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.437 ' HB3' ' HB3' ' A' ' 21' ' ' LEU . 4.9 t-20 -148.2 178.09 8.85 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -176.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -102.65 -61.39 1.4 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.01 -35.8 80.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.886 -177.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . 2.4 tm? -58.14 -47.69 82.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.626 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -71.54 -30.37 65.81 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.573 -177.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -69.7 -49.94 48.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.757 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.2 t -66.16 -33.25 75.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.681 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tt -56.7 -50.04 73.36 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 177.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.6 -38.76 61.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.089 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -58.49 -36.92 74.52 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 122.443 0.297 . . . . 0.0 111.261 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.6 m -61.01 -35.97 78.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.729 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -66.02 -43.45 87.59 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 176.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.47 98.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.768 -178.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -63.18 -34.87 78.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.267 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -90.7 19.14 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.217 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.451 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 31.0 tt0 72.3 15.86 5.21 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.433 0.635 . . . . 0.0 111.863 172.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -103.43 46.74 0.91 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.451 ' CE1' ' HA ' ' A' ' 33' ' ' GLU . 95.6 m-85 -50.84 -33.71 24.88 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 114.743 -1.117 . . . . 0.0 112.273 -175.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -53.4 -40.0 64.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.393 0.616 . . . . 0.0 111.358 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.6 -26.55 59.99 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.177 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.66 -36.95 76.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.571 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.416 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 6.7 mp -48.75 -54.33 28.41 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -172.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 21.8 Cg_endo -62.85 -36.71 59.75 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 121.821 1.681 . . . . 0.0 112.901 -178.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -71.99 -42.48 66.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.621 -177.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mp -65.0 -40.56 95.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.79 0.329 . . . . 0.0 110.821 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -68.51 -31.32 70.49 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.884 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.92 -31.13 68.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.875 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.28 -35.41 76.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.303 0.573 . . . . 0.0 110.103 174.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.408 HD12 HD12 ' A' ' 59' ' ' LEU . 97.1 mt -64.32 -24.11 67.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.978 177.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -58.99 -45.2 91.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.179 0.514 . . . . 0.0 110.624 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -81.03 -40.13 24.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.413 -178.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -143.41 87.41 8.46 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 120.773 0.321 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -70.45 -8.65 24.11 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.362 2.041 . . . . 0.0 111.575 179.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.589 ' HA ' ' HZ2' ' A' ' 56' ' ' TRP . 10.3 p -97.94 16.81 19.84 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.15 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -77.76 89.17 4.01 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.714 ' HB3' HG21 ' A' ' 91' ' ' VAL . 2.2 m -49.49 -36.29 22.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.151 -0.931 . . . . 0.0 112.609 -175.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.4 t -62.78 -37.54 79.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.962 0.41 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.573 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -68.94 -35.92 77.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.205 -177.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.589 ' HZ2' ' HA ' ' A' ' 51' ' ' THR . 29.0 m0 -57.22 -45.2 84.06 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.478 0.656 . . . . 0.0 109.917 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 1.073 ' HA ' HD21 ' A' ' 95' ' ' LEU . 61.7 tttt -65.28 -36.49 84.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.656 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -75.34 -30.77 60.35 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 78.4 mt -56.1 -49.98 72.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.856 0.36 . . . . 0.0 111.31 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.56 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -58.82 -44.1 96.15 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.662 178.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -65.98 -30.66 71.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.714 0.292 . . . . 0.0 111.352 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.441 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . 45.7 m -69.32 -44.23 72.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.723 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.9 mt -68.62 -31.96 71.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.955 0.407 . . . . 0.0 110.837 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -68.62 -30.47 69.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.645 174.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.84 -25.73 64.1 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.764 -0.732 . . . . 0.0 111.756 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -70.88 -48.95 51.01 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.18 24.26 2.49 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.499 -0.857 . . . . 0.0 113.257 175.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -114.37 105.4 13.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.452 0.644 . . . . 0.0 110.736 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.545 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 25.6 ttp180 -62.5 -44.28 96.76 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.848 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.78 -45.1 83.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.668 0.271 . . . . 0.0 111.719 -176.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.45 -39.89 95.97 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.885 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.47 86.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.456 0.17 . . . . 0.0 111.446 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 69' ' ' ARG . 1.8 ptm180 -65.17 -42.63 93.49 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.928 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -66.91 -38.06 85.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.696 0.284 . . . . 0.0 110.689 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.11 -43.32 98.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.742 177.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.624 ' CD1' HD23 ' A' ' 95' ' ' LEU . 8.0 m0 -63.66 -40.62 97.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.937 178.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -61.02 -40.05 92.08 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.871 0.367 . . . . 0.0 110.53 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.5 m -67.2 -45.77 75.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.537 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.28 -34.32 80.06 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.12 -0.562 . . . . 0.0 111.944 178.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 76' ' ' TRP . 10.7 tp -61.06 -52.31 65.5 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 178.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.92 -31.82 72.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.128 178.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 86' ' ' ARG . . . -65.09 -46.12 82.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.842 176.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.413 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -68.88 -36.97 78.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.858 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.664 HE21 HG21 ' A' ' 92' ' ' VAL . 21.1 mm-40 -59.0 -46.89 87.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.29 174.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.4 t -67.05 -39.29 86.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.147 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.515 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -76.34 -14.61 60.09 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.596 -177.117 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.99 17.51 74.49 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.577 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -93.63 80.69 4.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.143 0.496 . . . . 0.0 110.274 -178.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -55.96 -41.55 74.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.112 -178.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -56.13 -42.74 77.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.048 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.714 HG21 ' HB3' ' A' ' 53' ' ' SER . 48.2 t -68.34 -38.23 79.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.326 -179.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.664 HG21 HE21 ' A' ' 84' ' ' GLN . 78.4 t -58.51 -49.4 82.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.499 176.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.512 ' O ' HG23 ' A' ' 97' ' ' VAL . 69.5 mmtt -65.77 -38.24 88.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.824 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.87 -49.4 77.89 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 120.606 0.241 . . . . 0.0 111.564 175.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 1.073 HD21 ' HA ' ' A' ' 57' ' ' LYS . 81.4 mt -68.96 -33.99 74.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.566 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 50.4 tt0 -57.2 -42.27 80.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.833 177.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 93' ' ' LYS . 89.5 t -60.92 -42.17 91.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.764 0.316 . . . . 0.0 111.032 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -66.99 -35.27 79.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.903 0.382 . . . . 0.0 110.976 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.509 HD11 ' HA ' ' A' ' 96' ' ' GLN . 88.0 mt -61.22 -36.35 79.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.525 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 16.3 mmm180 -70.98 -46.93 61.48 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-O 121.249 0.547 . . . . 0.0 109.884 -178.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.6 ttp85 -53.88 -46.76 71.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.573 175.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.23 -42.28 98.34 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.21 -33.12 75.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.549 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 54.9 mtt180 -64.16 -46.35 84.42 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.15 0.5 . . . . 0.0 110.168 176.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.51 -33.55 64.82 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.004 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -63.46 -46.98 83.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.182 174.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.581 -178.479 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 59.6 mt . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 121.191 0.52 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -34.12 66.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.554 -178.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -64.52 -45.75 85.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.31 -176.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -73.42 -32.8 64.63 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.7 0.286 . . . . 0.0 110.563 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.56 -40.81 89.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.878 0.371 . . . . 0.0 110.248 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.451 ' HA ' HD13 ' A' ' 12' ' ' LEU . 43.5 tt0 -66.62 -32.63 74.08 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.554 177.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.78 -30.05 71.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.031 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 86.6 mtp -63.31 -30.12 71.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.354 -178.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 9' ' ' GLU . 10.5 mp -59.0 -39.5 82.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.149 0.499 . . . . 0.0 110.647 178.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.4 -13.84 61.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.025 -178.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -86.45 -5.27 59.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.643 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.55 -27.32 15.53 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.855 -0.688 . . . . 0.0 113.28 175.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.9 m -86.12 79.46 9.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.653 0.74 . . . . 0.0 110.89 -176.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.625 ' HA ' HD22 ' A' ' 21' ' ' LEU . 31.8 t70 -142.6 113.46 7.51 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.638 172.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -135.04 -76.95 0.45 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.965 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.8 tpt -145.4 -57.3 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.78 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.574 HD12 ' HE1' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -77.01 71.51 3.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.314 0.578 . . . . 0.0 110.461 -173.012 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.625 HD22 ' HA ' ' A' ' 17' ' ' ASP . 3.7 pp -175.14 -33.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.433 175.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -73.11 -16.35 61.46 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.748 -175.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.574 ' HE1' HD12 ' A' ' 20' ' ' LEU . 22.1 p90 -69.96 -33.58 72.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.021 0.439 . . . . 0.0 110.34 177.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.6 m -66.94 -33.92 76.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.161 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.2 mt -60.55 -44.25 96.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.726 174.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.41 ' HA2' ' HD2' ' A' ' 29' ' ' TYR . . . -58.85 -43.26 96.72 Favored Glycine 0 C--N 1.333 0.401 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.89 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HG2' ' CZ2' ' A' ' 58' ' ' TRP . 92.9 mttt -56.68 -49.04 76.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.338 0.589 . . . . 0.0 110.487 175.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.3 m -63.4 -35.59 80.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.276 -175.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.41 ' HD2' ' HA2' ' A' ' 26' ' ' GLY . 29.1 m-85 -62.44 -47.23 84.98 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 175.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.05 87.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.418 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.39 -30.15 70.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -88.99 4.92 46.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.066 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 64.37 26.03 13.51 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.248 0.547 . . . . 0.0 111.282 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -98.69 45.94 1.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.609 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -52.59 -39.79 61.98 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.403 -173.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -54.84 -41.46 70.77 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.415 0.626 . . . . 0.0 111.098 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.505 ' O ' ' HD2' ' A' ' 41' ' ' HIS . . . -73.58 -27.41 61.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.95 -177.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.2 -38.25 78.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.371 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 mp -51.08 -54.82 33.63 Favored Pre-proline 0 N--CA 1.472 0.629 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -173.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.45 -38.66 61.91 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 121.738 1.625 . . . . 0.0 112.602 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.505 ' HD2' ' O ' ' A' ' 37' ' ' ALA . 93.8 m-70 -71.93 -39.65 69.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.014 -177.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.7 mt -71.1 -38.8 72.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.729 0.299 . . . . 0.0 110.85 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.1 tpt180 -63.21 -36.74 84.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.272 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.79 -43.33 68.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.081 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.8 -47.34 86.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.1 0.476 . . . . 0.0 110.998 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.467 HD23 ' HB1' ' A' ' 55' ' ' ALA . 82.6 mt -67.31 -24.32 65.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.121 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -69.58 -34.6 74.38 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.879 0.371 . . . . 0.0 110.405 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -81.5 -44.19 17.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.003 177.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -142.98 86.84 9.06 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.066 0.46 . . . . 0.0 110.293 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.55 -6.31 18.81 Favored 'Trans proline' 0 N--CA 1.475 0.407 0 C-N-CA 123.21 2.607 . . . . 0.0 113.783 -172.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.452 ' HA ' ' HZ2' ' A' ' 56' ' ' TRP . 11.9 t -96.14 14.18 24.81 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.778 0.323 . . . . 0.0 111.286 -175.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.506 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 25.1 t80 -75.4 91.31 2.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.125 0.488 . . . . 0.0 109.941 176.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.625 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 1.6 m -48.8 -36.8 17.5 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.311 1.044 . . . . 0.0 113.661 -174.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.506 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 54.9 t -60.53 -40.28 83.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.878 0.37 . . . . 0.0 110.738 -178.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.467 ' HB1' HD23 ' A' ' 46' ' ' LEU . . . -68.93 -28.3 66.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.723 -176.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.648 ' HZ3' ' HA ' ' A' ' 83' ' ' ALA . 43.2 m0 -58.08 -45.6 86.88 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.232 0.539 . . . . 0.0 110.516 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -64.8 -45.34 86.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.27 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.5 ' HD1' ' O ' ' A' ' 54' ' ' VAL . 87.4 m95 -67.47 -42.63 82.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.146 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.23 -49.52 75.75 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.05 -37.52 93.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.62 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -70.28 -24.3 63.02 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-O 120.805 0.336 . . . . 0.0 111.008 -177.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 84.9 m -58.7 -38.64 78.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.986 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.06 -42.46 94.57 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.912 177.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.47 -44.41 97.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.405 177.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.68 -27.15 73.62 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.325 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -78.03 -37.31 47.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.827 0.346 . . . . 0.0 110.233 177.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.9 -0.83 7.26 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.433 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -95.72 89.69 5.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.132 0.492 . . . . 0.0 110.277 -179.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.636 ' HD3' ' HB3' ' A' ' 105' ' ' GLU . 5.5 ptp85 -65.94 -33.67 76.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.056 178.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.01 -47.13 69.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.309 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.48 -37.87 94.84 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.927 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.16 -46.9 85.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.611 0.243 . . . . 0.0 110.747 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -58.62 -50.46 73.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.62 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -64.71 -37.14 86.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.057 -177.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.06 -44.15 80.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.056 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.526 ' HB3' HD23 ' A' ' 99' ' ' LEU . 21.5 m0 -67.52 -37.02 82.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.446 -178.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -61.83 -37.79 85.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.111 0.481 . . . . 0.0 110.384 175.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.4 t -72.6 -40.41 66.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.233 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.78 -31.26 67.54 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.504 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.4 tp -60.98 -50.86 71.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.033 0.444 . . . . 0.0 110.275 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.05 -33.44 73.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.104 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.97 -47.53 77.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.903 0.383 . . . . 0.0 110.002 176.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.648 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -64.57 -41.12 96.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.707 178.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -59.83 -47.75 84.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.0 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.0 t -61.97 -39.41 92.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.506 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 13.2 mmt180 -86.76 -11.57 50.67 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -177.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.09 21.15 57.82 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.643 -0.789 . . . . 0.0 113.042 175.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.16 75.18 9.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.816 0.817 . . . . 0.0 109.683 175.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -60.75 -38.62 85.79 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.256 -1.338 . . . . 0.0 111.763 -174.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.649 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 32.0 tt0 -55.93 -48.15 76.24 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.56 177.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.82 -37.98 81.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.559 -176.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 65.1 t -57.96 -53.17 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.306 177.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.429 ' HD3' ' OE1' ' A' ' 96' ' ' GLN . 74.0 mmtt -66.3 -30.91 71.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.932 -177.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.649 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 49.2 mt-10 -67.88 -47.15 69.67 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.721 0.296 . . . . 0.0 110.548 176.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.0 mt -66.35 -37.16 84.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.461 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.429 ' OE1' ' HD3' ' A' ' 93' ' ' LYS . 48.5 mt-30 -57.78 -31.03 66.14 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 179.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 96.9 t -61.85 -43.93 98.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-O 121.175 0.512 . . . . 0.0 110.415 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -67.35 -38.17 84.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.093 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.526 HD23 ' HB3' ' A' ' 76' ' ' TRP . 3.9 mm? -57.55 -34.4 69.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.845 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -66.93 -47.36 71.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.292 0.568 . . . . 0.0 110.405 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 101' ' ' ARG . 36.0 ttp180 -71.82 -35.13 69.83 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.566 -177.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.415 ' HG ' ' HZ3' ' A' ' 76' ' ' TRP . 3.3 tm? -65.39 -36.92 85.43 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.076 177.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.43 -30.78 61.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.37 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -56.19 -45.31 79.84 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.667 0.27 . . . . 0.0 110.739 -178.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.636 ' HB3' ' HD3' ' A' ' 69' ' ' ARG . 40.1 mt-10 -63.5 -42.41 98.52 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.114 0.483 . . . . 0.0 110.967 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -72.2 -45.97 58.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.376 -177.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.7 -177.697 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.5 mm . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 121.426 0.631 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -55.9 -47.1 78.04 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.805 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -67.91 -41.84 82.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.734 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.584 ' O ' ' HG3' ' A' ' 11' ' ' MET . 5.8 ppt_? -72.56 -31.19 65.07 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.349 -175.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.629 ' HB2' HD22 ' A' ' 25' ' ' LEU . 67.8 mt -63.68 -50.7 68.21 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.216 -0.194 . . . . 0.0 111.104 178.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -59.66 -32.79 70.8 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.873 0.368 . . . . 0.0 111.328 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.81 -30.17 68.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.26 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.608 ' HA ' ' OE1' ' A' ' 14' ' ' GLN . 91.9 mtp -63.42 -27.56 69.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.862 -176.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.414 ' HG ' ' HA ' ' A' ' 17' ' ' ASP . 8.9 mp -63.62 -30.69 71.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.33 . . . . 0.0 110.877 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.92 -16.63 63.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.538 -177.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.608 ' OE1' ' HA ' ' A' ' 11' ' ' MET . 2.1 mp0 -78.19 4.13 13.42 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.151 178.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.79 33.32 4.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 0.0 113.307 173.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.3 m -154.46 96.6 1.92 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.982 0.42 . . . . 0.0 111.179 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.414 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 9.6 p-10 -93.29 96.1 9.77 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.749 0.785 . . . . 0.0 109.301 173.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -108.38 147.9 30.88 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.833 -176.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.72 -32.21 35.83 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.15 -172.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.7 tp -66.2 -32.93 74.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.117 0.484 . . . . 0.0 110.219 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 tt -64.32 -45.8 86.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.324 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.616 ' HG2' HD12 ' A' ' 25' ' ' LEU . 57.4 mtt180 -75.95 -17.16 59.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.579 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.43 -41.91 93.01 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 169.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.7 m -62.37 -38.99 91.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.856 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.629 HD22 ' HB2' ' A' ' 8' ' ' LEU . 34.1 mt -59.68 -46.24 89.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.544 177.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.437 ' HA2' ' HD2' ' A' ' 29' ' ' TYR . . . -58.98 -42.72 97.01 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.822 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 14.6 tmtt? -63.22 -40.27 96.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.374 -0.413 . . . . 0.0 110.57 176.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 m -69.64 -35.6 75.36 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.336 -179.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.486 ' HB3' ' HB3' ' A' ' 38' ' ' ALA . 21.7 m-85 -56.71 -46.5 81.22 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.987 0.422 . . . . 0.0 110.879 177.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.67 75.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.659 -175.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 27' ' ' LYS . 41.1 mt-10 -69.22 -33.38 73.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.015 0.436 . . . . 0.0 111.02 -178.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -93.24 12.54 24.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.525 -178.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.406 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 28.0 tt0 63.67 28.91 15.08 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.997 176.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -97.79 45.1 1.03 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.763 0.792 . . . . 0.0 109.08 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 81.7 m-85 -60.38 -32.07 70.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.735 -1.121 . . . . 0.0 112.176 -173.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.14 -45.01 96.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.353 0.597 . . . . 0.0 110.32 -177.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.5 -28.4 60.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.6 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.486 ' HB3' ' HB3' ' A' ' 29' ' ' TYR . . . -68.34 -37.13 80.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.889 -178.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.591 HD13 ' HG3' ' A' ' 66' ' ' GLN . 89.3 mt -49.66 -54.39 31.81 Favored Pre-proline 0 CA--C 1.541 0.607 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -173.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -71.42 -32.24 12.73 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 121.449 1.433 . . . . 0.0 111.536 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -66.78 -37.02 83.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.541 -177.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.44 -43.23 67.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.298 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -61.1 -38.25 85.62 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.729 0.299 . . . . 0.0 110.693 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.06 -36.47 79.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.927 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.17 81.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.737 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.5 -25.63 68.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.115 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.26 -38.76 88.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.135 0.493 . . . . 0.0 110.496 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -80.81 -43.57 19.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.645 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -145.55 87.26 7.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 120.971 0.415 . . . . 0.0 110.899 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.54 -4.98 16.29 Favored 'Trans proline' 0 N--CA 1.466 -0.126 0 C-N-CA 122.618 2.212 . . . . 0.0 112.195 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.7 p -93.3 11.65 27.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.956 -177.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.493 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 10.9 t80 -81.62 94.63 6.97 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 175.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.48 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 11.8 m -52.02 -41.02 61.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.715 -175.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.493 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 93.1 t -61.27 -36.18 71.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.934 0.397 . . . . 0.0 111.05 -179.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.06 -29.49 70.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.396 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.518 ' HH2' ' HG3' ' A' ' 86' ' ' ARG . 27.6 m0 -63.55 -45.73 89.18 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.444 0.64 . . . . 0.0 110.112 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.917 ' HA ' HD21 ' A' ' 95' ' ' LEU . 82.4 tttt -65.21 -39.21 92.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.964 -177.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -75.77 -29.65 58.85 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.67 -48.1 78.37 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 110.239 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.64 -39.14 97.52 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.051 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -66.96 -33.46 75.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.477 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 29.9 m -64.09 -43.23 96.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.515 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.24 -38.8 78.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.561 177.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -59.91 -49.65 76.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.169 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.15 -18.87 78.22 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.957 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.591 ' HG3' HD13 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -73.06 -30.69 63.89 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -178.758 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.49 -10.42 3.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.109 -1.043 . . . . 0.0 114.107 174.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -113.12 106.32 14.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.807 0.813 . . . . 0.0 111.682 -178.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.545 ' HD2' ' N ' ' A' ' 70' ' ' ALA . 1.9 ppt_? -65.29 -27.96 68.99 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.855 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.545 ' N ' ' HD2' ' A' ' 69' ' ' ARG . . . -66.96 -50.06 63.51 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.249 -173.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.07 -38.53 96.27 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.825 177.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.44 -47.98 83.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.536 0.208 . . . . 0.0 110.928 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -56.13 -50.77 70.19 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.419 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.67 -42.24 92.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.589 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.5 -47.09 87.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.34 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.547 ' CD1' HD23 ' A' ' 95' ' ' LEU . 12.3 m0 -65.27 -47.62 76.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.125 -178.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.6 -35.14 78.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.124 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.3 m -73.41 -45.91 51.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.795 0.331 . . . . 0.0 110.714 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.79 -23.68 69.31 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 121.379 -0.438 . . . . 0.0 112.725 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.9 tp -57.04 -45.02 83.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.215 0.531 . . . . 0.0 110.029 176.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.68 -31.09 71.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.123 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.01 87.27 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.41 -43.48 90.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.601 177.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -57.38 -45.6 84.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.28 174.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 t -59.02 -28.97 66.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.678 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.518 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 18.6 mmm180 -95.07 -13.61 25.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.598 0.237 . . . . 0.0 111.168 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.39 18.56 56.94 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.971 -0.633 . . . . 0.0 113.203 177.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.45 ' O ' HG22 ' A' ' 92' ' ' VAL . 4.3 m-20 -88.99 78.81 7.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.929 0.395 . . . . 0.0 111.12 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -56.93 -37.94 72.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.838 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.485 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 32.7 tt0 -56.31 -47.55 78.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.854 176.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.35 -38.54 82.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.14 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 88' ' ' ASP . 86.3 t -58.17 -44.97 88.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.324 176.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.518 ' O ' HG22 ' A' ' 97' ' ' VAL . 57.2 mtmt -67.0 -41.97 85.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 45.3 mt-10 -60.19 -48.91 79.74 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 120.887 0.375 . . . . 0.0 110.981 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.917 HD21 ' HA ' ' A' ' 57' ' ' LYS . 49.9 mt -68.88 -32.49 72.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.167 -179.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -59.89 -39.52 85.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.987 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 93' ' ' LYS . 64.9 t -59.48 -37.91 72.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.922 -177.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.429 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 92.9 m-85 -62.44 -45.63 92.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.629 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.4 HD22 ' HB2' ' A' ' 76' ' ' TRP . 89.0 mt -62.02 -33.88 75.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.964 -176.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 100' ' ' ARG . 7.5 mtm180 -68.71 -44.61 73.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.409 0.623 . . . . 0.0 110.307 -176.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -70.65 -41.31 72.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.799 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' A' ' 106' ' ' ASP . 2.6 tm? -62.93 -43.45 98.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.98 -31.56 60.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.9 -178.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 104' ' ' ARG . 21.3 mtp180 -59.75 -47.69 84.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.974 -179.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -76.41 -38.75 55.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.079 0.466 . . . . 0.0 111.157 175.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.643 ' HB2' HD11 ' A' ' 102' ' ' LEU . 14.7 t70 -62.31 -37.7 86.57 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.676 -175.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.223 178.167 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.477 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 46.7 mm . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.812 0.339 . . . . 0.0 111.332 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.7 t -58.6 -35.52 72.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.259 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.71 -49.1 69.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.715 0.293 . . . . 0.0 110.939 -175.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 4' ' ' ILE . 5.9 ppt_? -66.92 -31.19 71.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.407 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.1 -46.03 75.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.848 176.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.78 -35.47 78.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.002 0.429 . . . . 0.0 110.376 177.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.462 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -65.57 -49.6 68.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.199 178.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.8 ptm -69.03 -28.85 66.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.603 0.239 . . . . 0.0 110.556 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.508 HD11 HD22 ' A' ' 21' ' ' LEU . 6.7 tt -62.93 -40.72 98.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.32 -9.3 58.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.366 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 28.8 mm-40 -88.62 -5.3 58.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.923 0.392 . . . . 0.0 110.583 176.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.58 49.7 0.64 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.16 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.444 ' HB ' ' HA ' ' A' ' 12' ' ' LEU . 14.5 m -129.35 89.77 2.9 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -106.56 89.81 3.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.956 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.501 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 13.5 m120 -119.33 157.47 28.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.913 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 19.5 ttt -73.22 -49.6 27.01 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.413 178.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.17 -42.56 98.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.594 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.508 HD22 HD11 ' A' ' 12' ' ' LEU . 5.2 tt -58.92 -37.7 77.27 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 -177.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 18' ' ' ASN . 69.1 mtt180 -59.31 -39.18 82.22 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.727 178.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -70.14 -42.95 71.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.989 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.4 m -56.52 -41.56 76.93 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.138 -178.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.41 HD11 ' HE1' ' A' ' 41' ' ' HIS . 94.1 mt -60.91 -48.89 79.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.383 176.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.31 -41.39 99.52 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.418 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -59.66 -39.72 85.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.864 0.364 . . . . 0.0 110.458 177.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.7 m -65.38 -43.9 89.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.784 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -64.15 -43.57 94.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.935 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.65 -44.34 96.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.132 -176.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.49 -36.95 74.55 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 121.15 0.5 . . . . 0.0 110.873 176.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -91.39 21.78 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.44 -176.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 69.56 19.85 7.29 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.05 172.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -104.13 46.23 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.845 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.462 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 82.5 m-85 -52.87 -36.38 59.0 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.996 -177.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -52.73 -48.53 66.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.842 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.09 -30.31 69.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.158 -176.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.91 -37.02 70.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.748 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 35' ' ' PHE . 95.6 mt -49.48 -54.89 25.96 Favored Pre-proline 0 N--CA 1.469 0.511 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -171.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -69.06 -32.3 21.77 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 121.526 1.484 . . . . 0.0 112.34 -177.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.41 ' HE1' HD11 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -71.24 -42.69 68.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.599 -176.475 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.2 -40.11 71.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.767 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -62.56 -40.69 97.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.572 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.26 -41.63 96.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.794 0.33 . . . . 0.0 111.174 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.0 -45.55 67.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.257 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.0 mt -65.14 -24.96 67.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.932 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.72 -45.43 92.19 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.826 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -77.2 -43.52 33.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.43 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -149.08 89.21 4.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 121.296 0.569 . . . . 0.0 110.754 -177.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.25 -2.4 11.13 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 123.184 2.589 . . . . 0.0 113.535 -176.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.63 -6.88 28.37 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -174.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.468 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 16.1 t80 -69.54 94.3 0.75 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.067 0.46 . . . . 0.0 110.016 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.419 ' HA ' ' CE2' ' A' ' 56' ' ' TRP . 1.4 p -61.4 -34.25 75.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.778 -172.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.468 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 59.2 t -63.16 -35.92 73.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.084 0.468 . . . . 0.0 110.713 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.3 -28.44 68.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.676 -175.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.798 ' HH2' ' HG3' ' A' ' 86' ' ' ARG . 37.3 m0 -58.67 -47.66 83.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.035 0.445 . . . . 0.0 110.738 -178.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.94 ' HA ' HD22 ' A' ' 95' ' ' LEU . 86.6 tttt -66.45 -36.65 83.31 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.005 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -75.35 -30.55 60.28 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.689 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.38 -42.96 99.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 110.18 -178.19 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.512 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -64.29 -39.7 97.26 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.919 176.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -63.06 -42.47 99.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.717 0.294 . . . . 0.0 111.537 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.417 ' HB ' ' CD2' ' A' ' 39' ' ' LEU . 1.3 p -71.53 -41.21 69.45 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -175.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.564 HD13 ' HB1' ' A' ' 75' ' ' ALA . 32.0 mt -69.29 -31.35 69.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.766 0.317 . . . . 0.0 110.63 175.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -64.63 -48.93 73.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.415 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 63.51 19.22 62.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.208 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 66.24 18.43 10.93 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.115 0.566 . . . . 0.0 111.04 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -148.18 -41.62 0.04 OUTLIER Glycine 0 CA--C 1.523 0.537 0 C-N-CA 120.048 -1.072 . . . . 0.0 113.942 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -90.8 99.21 12.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.585 0.707 . . . . 0.0 110.891 -173.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -65.67 -29.91 70.53 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.84 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 74' ' ' GLN . . . -67.0 -50.2 62.96 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 121.181 -0.208 . . . . 0.0 111.511 -175.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.44 -35.2 91.66 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.386 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.463 ' HB2' ' CZ3' ' A' ' 76' ' ' TRP . . . -60.73 -50.34 73.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.387 -0.406 . . . . 0.0 110.819 176.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -57.77 -49.22 77.32 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.757 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 70' ' ' ALA . 97.0 mt-30 -55.97 -45.9 78.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.77 -177.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.564 ' HB1' HD13 ' A' ' 63' ' ' LEU . . . -67.64 -47.57 69.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.033 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.512 ' NE1' ' HA3' ' A' ' 60' ' ' GLY . 24.5 m0 -67.41 -37.13 82.61 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -173.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -62.85 -39.6 94.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.022 0.439 . . . . 0.0 110.284 176.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -70.46 -44.86 66.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.348 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.53 -34.97 90.59 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.035 178.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.0 tp -62.98 -46.76 86.17 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.173 0.511 . . . . 0.0 110.1 179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.21 -33.34 74.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.197 177.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.13 -41.92 89.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.233 0.54 . . . . 0.0 109.856 175.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.97 -36.77 78.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.813 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -61.77 -46.05 91.25 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.316 174.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.6 t -59.31 -38.28 79.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.786 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.798 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 7.1 mmm180 -76.53 -15.69 59.81 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 177.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.61 24.18 67.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.939 -174.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.471 ' O ' HG23 ' A' ' 92' ' ' VAL . 3.9 m-20 -93.44 86.38 5.23 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.615 0.721 . . . . 0.0 110.645 -176.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -53.78 -40.2 66.06 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.238 -1.347 . . . . 0.0 112.834 -177.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -56.64 -43.84 80.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.321 . . . . 0.0 111.066 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.2 t -71.81 -37.82 63.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.981 0.42 . . . . 0.0 110.108 -178.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 88' ' ' ASP . 64.6 t -58.19 -47.5 87.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.325 177.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.56 ' O ' HG22 ' A' ' 97' ' ' VAL . 46.6 mtmt -62.8 -44.35 96.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.768 -178.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.86 -49.39 77.93 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.94 HD22 ' HA ' ' A' ' 57' ' ' LYS . 64.5 mt -69.62 -32.67 71.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.819 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -59.72 -39.9 86.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 93' ' ' LYS . 90.1 t -59.12 -38.38 73.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.489 -177.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -65.02 -41.13 95.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.197 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.19 -36.25 83.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.081 0.467 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -75.28 -47.84 26.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.286 0.565 . . . . 0.0 109.852 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.482 ' O ' ' HG2' ' A' ' 105' ' ' GLU . 51.7 ttt180 -59.1 -41.0 87.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.048 176.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 47.4 tp -58.11 -38.24 76.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.744 0.307 . . . . 0.0 110.716 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.78 -31.71 72.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.442 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -65.0 -47.54 77.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.987 0.422 . . . . 0.0 110.134 175.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 101' ' ' ARG . 4.6 mm-40 -64.77 -44.28 90.54 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.08 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.49 -41.3 93.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.014 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.469 178.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.52 HG23 ' HG ' ' A' ' 8' ' ' LEU . 74.9 mt . . . . . 0 N--CA 1.448 -0.53 0 CA-C-O 120.734 0.302 . . . . 0.0 111.582 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.445 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 1.2 p -57.06 -51.4 69.44 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 -176.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.7 -38.84 92.64 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -174.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -73.81 -32.16 63.6 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.784 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.52 ' HG ' HG23 ' A' ' 4' ' ' ILE . 32.9 mt -66.37 -35.42 80.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.764 176.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 5' ' ' THR . 7.7 mm-40 -52.33 -41.47 63.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.919 0.39 . . . . 0.0 110.627 176.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -71.35 -39.08 71.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.044 177.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 88.7 mtp -68.67 -41.48 79.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.687 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 12' ' ' LEU . 4.1 mm? -64.53 -29.22 70.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.891 0.377 . . . . 0.0 110.581 177.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.71 -7.16 54.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.325 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 77.6 mm-40 -89.93 -8.44 51.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.808 178.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.9 32.7 13.98 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.367 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -102.6 78.41 1.71 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.426 0.631 . . . . 0.0 109.917 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -76.95 125.92 30.12 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.437 -176.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.581 ' HB2' ' HB2' ' A' ' 21' ' ' LEU . 42.4 m-80 -145.97 154.34 41.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.451 174.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.424 ' C ' ' H ' ' A' ' 21' ' ' LEU . 1.1 tmt? -82.21 -45.39 15.13 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 176.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 99.1 mt -78.95 24.3 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.581 ' HB2' ' HB2' ' A' ' 18' ' ' ASN . 26.4 tp -115.78 -29.7 6.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.51 175.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -77.48 -29.32 52.57 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.515 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -67.22 -32.49 73.57 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.846 -179.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 m -61.1 -41.36 96.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.098 176.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.32 -48.3 73.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.282 176.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.445 ' HA2' ' CD2' ' A' ' 29' ' ' TYR . . . -58.49 -47.26 90.91 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.599 -0.728 . . . . 0.0 113.302 -176.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 40.7 mtpt -58.45 -40.45 82.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.913 0.387 . . . . 0.0 110.726 178.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.2 m -67.26 -34.09 76.7 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.219 -176.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.445 ' CD2' ' HA2' ' A' ' 26' ' ' GLY . 26.7 m-85 -60.07 -46.35 89.85 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.956 0.408 . . . . 0.0 110.182 177.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.99 86.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.352 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -64.2 -22.71 67.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.503 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -102.48 14.95 30.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.139 -175.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 68.48 20.66 8.43 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.533 0.682 . . . . 0.0 110.775 175.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.423 ' HG3' ' HB3' ' A' ' 37' ' ' ALA . 44.6 tp60 -108.85 46.27 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.754 -177.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.406 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 70.4 m-85 -54.71 -35.6 63.82 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.427 -176.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -53.52 -49.1 68.29 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.375 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.423 ' HB3' ' HG3' ' A' ' 34' ' ' GLN . . . -74.99 -28.41 60.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.257 -177.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.53 91.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.325 -177.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.469 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 84.0 mt -53.54 -54.44 45.68 Favored Pre-proline 0 CA--C 1.543 0.683 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 -171.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.541 ' HG2' ' HD2' ' A' ' 41' ' ' HIS . 51.1 Cg_endo -71.68 -32.51 11.72 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 121.539 1.493 . . . . 0.0 112.682 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.541 ' HD2' ' HG2' ' A' ' 40' ' ' PRO . 12.4 m-70 -71.62 -36.21 70.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.744 -177.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.17 -39.95 95.09 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.336 174.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -59.87 -39.79 86.45 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.494 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.23 -37.76 72.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.575 -176.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.01 -48.65 43.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.892 0.377 . . . . 0.0 111.625 175.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.474 HD21 ' HB2' ' A' ' 55' ' ' ALA . 90.5 mt -74.32 -26.65 60.29 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -173.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -62.93 -38.01 89.3 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.139 0.495 . . . . 0.0 109.756 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -83.28 -43.64 15.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.442 176.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -140.31 88.76 11.17 Favored Pre-proline 0 N--CA 1.464 0.252 0 CA-C-O 120.942 0.401 . . . . 0.0 110.922 -174.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -81.0 -1.51 11.25 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 123.078 2.519 . . . . 0.0 113.117 -175.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -17.99 50.41 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -173.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.565 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 11.1 t80 -77.93 96.32 5.0 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.952 0.406 . . . . 0.0 111.154 -175.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.635 ' HB3' HG22 ' A' ' 91' ' ' VAL . 14.8 m -56.23 -38.61 71.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.423 -177.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.565 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 21.5 t -57.35 -36.05 51.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 121.123 0.487 . . . . 0.0 110.949 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.474 ' HB2' HD21 ' A' ' 46' ' ' LEU . . . -68.55 -28.65 67.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.862 -176.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.509 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 11.3 m0 -63.19 -47.27 83.33 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.661 0.743 . . . . 0.0 109.046 178.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.643 ' HA ' HD21 ' A' ' 95' ' ' LEU . 30.8 ttpt -65.18 -34.82 79.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.834 178.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -65.67 -47.02 76.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.266 175.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.47 -48.35 77.29 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.415 -178.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.09 -41.08 99.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -71.39 -26.22 62.69 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.088 0.47 . . . . 0.0 110.602 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 65.0 m -71.8 -42.51 66.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.558 178.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 75' ' ' ALA . 36.6 mt -67.2 -29.76 69.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.28 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.606 ' HA ' ' HB2' ' A' ' 72' ' ' ALA . 21.2 tp60 -56.45 -50.07 72.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.731 177.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.51 17.05 11.97 Favored Glycine 0 CA--C 1.521 0.406 0 CA-C-N 116.012 -0.54 . . . . 0.0 113.178 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.543 ' H ' ' HG3' ' A' ' 64' ' ' GLN . 49.9 tt0 65.94 13.98 9.34 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 122.943 0.497 . . . . 0.0 110.987 -178.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.89 -44.21 0.04 OUTLIER Glycine 0 CA--C 1.521 0.46 0 C-N-CA 119.944 -1.122 . . . . 0.0 114.191 -175.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -91.31 95.91 10.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.531 0.682 . . . . 0.0 110.513 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.7 ptp85 -65.86 -29.54 70.0 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.766 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.91 -50.3 56.96 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.424 -173.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.39 -39.14 91.58 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.694 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.606 ' HB2' ' HA ' ' A' ' 64' ' ' GLN . . . -62.06 -51.98 65.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.754 0.312 . . . . 0.0 110.842 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 69.8 ttt180 -59.67 -51.05 71.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.369 -178.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -57.2 -38.15 73.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.136 -177.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.516 ' HB3' HD11 ' A' ' 63' ' ' LEU . . . -67.13 -44.36 80.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.347 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.516 ' CD1' HD23 ' A' ' 95' ' ' LEU . 20.0 m0 -71.02 -39.85 72.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.282 -177.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 73' ' ' ARG . 12.3 mm-40 -60.11 -42.62 95.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.265 0.555 . . . . 0.0 109.769 178.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -74.13 -43.3 57.99 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.259 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.36 -24.56 73.63 Favored Glycine 0 C--N 1.331 0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.911 -177.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.4 tp -58.72 -43.55 90.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.112 0.482 . . . . 0.0 110.256 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.08 75.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.349 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.98 90.47 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 176.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.53 -42.49 91.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.659 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -58.23 -49.4 77.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.278 177.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.2 t -63.46 -38.16 90.09 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.283 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.498 ' HG3' ' CH2' ' A' ' 56' ' ' TRP . 10.3 mmm180 -76.24 -13.21 60.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.701 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.53 22.42 78.52 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.601 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -89.78 82.23 6.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.65 0.738 . . . . 0.0 109.404 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -64.14 -37.25 86.79 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.312 -175.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.586 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 46.4 tt0 -55.93 -47.62 77.19 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.515 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.635 HG22 ' HB3' ' A' ' 53' ' ' SER . 75.4 t -64.91 -37.16 79.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.688 -177.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 64.2 t -57.54 -47.98 84.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.449 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.411 ' O ' HG22 ' A' ' 97' ' ' VAL . 53.5 mtmt -67.72 -40.68 84.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.422 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.586 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 88.8 mt-10 -61.34 -48.38 81.59 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.775 0.321 . . . . 0.0 110.96 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.643 HD21 ' HA ' ' A' ' 57' ' ' LYS . 59.2 mt -67.63 -34.49 77.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.603 178.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -56.78 -33.98 67.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.171 178.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 93' ' ' LYS . 93.1 t -59.7 -40.62 82.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.239 0.542 . . . . 0.0 110.241 179.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.4 ' HB3' ' CH2' ' A' ' 76' ' ' TRP . 98.4 m-85 -67.68 -36.42 80.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.835 178.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' A' ' 76' ' ' TRP . 4.0 mm? -62.18 -35.6 79.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.426 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -65.68 -44.84 85.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.503 0.668 . . . . 0.0 109.89 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 101' ' ' ARG . 22.6 ttt180 -63.7 -41.62 98.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.646 177.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -39.19 88.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.823 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.03 -31.6 68.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.889 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -69.16 -28.89 66.82 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.546 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -75.65 -41.44 54.07 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.063 0.458 . . . . 0.0 109.819 172.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.58 -44.33 76.81 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.928 174.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.646 0 CA-C-N 114.481 -1.236 . . . . 0.0 112.499 -179.538 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.529 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 62.5 mt . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.943 0.402 . . . . 0.0 110.495 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.479 HG22 ' HA ' ' A' ' 25' ' ' LEU . 1.7 p -57.46 -37.16 72.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.475 178.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -56.3 -49.73 73.46 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 -177.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -74.76 -32.87 62.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.191 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.544 HD23 HD13 ' A' ' 21' ' ' LEU . 70.9 mt -67.19 -38.15 84.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.413 -178.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.82 -36.2 62.25 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.627 0.251 . . . . 0.0 111.348 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.32 -38.94 85.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.924 0.392 . . . . 0.0 110.773 177.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.5 ttm -68.68 -39.38 80.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.466 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.93 -37.17 78.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.694 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.05 -6.49 45.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.922 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -91.56 4.2 53.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.671 0.272 . . . . 0.0 110.813 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.49 37.16 11.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.77 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 m -132.24 93.99 3.37 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 -177.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.487 ' HB3' HH11 ' A' ' 22' ' ' ARG . 6.7 m-20 -93.7 -45.37 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.194 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 59.93 -159.24 0.31 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.152 -178.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.442 ' HE3' ' HB3' ' A' ' 49' ' ' ASP . 14.0 tpt -111.91 -59.2 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.085 0.469 . . . . 0.0 110.482 176.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.443 HD11 ' O ' ' A' ' 20' ' ' LEU . 2.2 tm? -67.32 -32.49 73.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.166 -176.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.544 HD13 HD23 ' A' ' 8' ' ' LEU . 45.8 tp -60.5 -59.83 4.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.448 -177.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.487 HH11 ' HB3' ' A' ' 17' ' ' ASP . 8.2 ptm180 -60.35 -28.01 67.83 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -176.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -69.67 -41.09 75.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.379 . . . . 0.0 110.67 176.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 95.2 m -57.82 -36.53 72.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.788 -176.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.479 ' HA ' HG22 ' A' ' 5' ' ' THR . 7.4 mp -65.44 -44.02 88.62 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.986 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.17 -47.94 88.42 Favored Glycine 0 C--O 1.228 -0.241 0 C-N-CA 120.861 -0.685 . . . . 0.0 113.092 -173.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -63.67 -35.95 82.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.891 0.376 . . . . 0.0 111.422 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.9 m -69.13 -36.4 77.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -68.34 -36.36 79.12 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.884 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.7 90.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 0.0 110.634 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.9 -22.4 65.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.616 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.91 18.59 7.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.897 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 67.55 23.89 8.79 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.374 0.607 . . . . 0.0 111.354 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -118.69 43.12 2.6 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 175.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -58.66 -32.11 68.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.195 -1.366 . . . . 0.0 112.286 -175.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -55.86 -48.08 76.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.223 0.535 . . . . 0.0 110.468 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.01 -27.9 61.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.948 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.08 87.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.632 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.6 mt -51.9 -54.42 40.64 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -174.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -65.12 -32.36 52.88 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 121.427 1.418 . . . . 0.0 112.343 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -72.18 -37.14 69.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.764 -178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.8 mt -71.0 -47.75 57.06 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 ttt85 -62.92 -31.59 72.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.581 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.04 -32.46 72.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.821 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.03 -46.91 64.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.919 0.39 . . . . 0.0 110.539 177.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.506 HD23 ' HB2' ' A' ' 55' ' ' ALA . 71.7 mt -65.29 -24.34 67.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.984 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -55.91 -41.62 74.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.127 0.489 . . . . 0.0 111.069 -179.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -81.59 -38.63 25.79 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.417 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.442 ' HB3' ' HE3' ' A' ' 19' ' ' MET . 7.8 t0 -144.29 89.65 6.92 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.827 0.346 . . . . 0.0 110.619 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -69.22 -3.6 11.99 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 123.298 2.665 . . . . 0.0 113.375 -175.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.66 10.92 9.93 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -172.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.483 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 10.6 t80 -82.98 95.09 7.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.279 0.561 . . . . 0.0 110.365 -179.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.635 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 4.9 m -56.61 -33.36 66.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.08 -0.963 . . . . 0.0 112.965 -173.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.483 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 54.4 t -63.11 -36.49 76.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.013 0.435 . . . . 0.0 110.583 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.534 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -71.07 -28.77 64.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.589 -176.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.646 ' HZ3' ' HA ' ' A' ' 83' ' ' ALA . 33.0 m0 -60.6 -48.38 82.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.214 0.531 . . . . 0.0 110.128 -178.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.557 ' HA ' HD21 ' A' ' 95' ' ' LEU . 38.5 ttpt -66.47 -34.94 79.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.787 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -66.13 -37.58 86.05 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.989 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 72.2 mt -56.62 -52.27 65.51 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.659 0.266 . . . . 0.0 111.481 -177.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.89 -39.1 97.61 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.16 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -59.01 -44.09 91.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.159 0.504 . . . . 0.0 110.963 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.3 m -70.5 -36.77 73.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.639 -177.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.36 -34.82 76.76 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.049 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -60.8 -48.61 81.04 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.204 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.97 -28.43 71.8 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.073 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -65.65 -38.05 88.26 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.145 0.497 . . . . 0.0 109.675 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.67 -10.82 4.6 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.325 -0.941 . . . . 0.0 113.577 173.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -90.27 98.61 11.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.613 0.721 . . . . 0.0 110.866 -174.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 69' ' ' ARG . 20.1 ttp180 -61.02 -43.82 98.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.743 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' A' ' 74' ' ' GLN . . . -67.52 -49.22 64.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.197 -178.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.7 -43.2 96.49 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.636 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.87 -42.38 97.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.059 0.457 . . . . 0.0 110.387 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -63.02 -48.82 77.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.367 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 70' ' ' ALA . 12.8 mm-40 -65.23 -40.25 93.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.952 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.41 94.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.173 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.478 ' CH2' ' HB3' ' A' ' 98' ' ' PHE . 22.2 m0 -68.68 -36.89 79.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.417 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.42 -35.11 70.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.67 0.271 . . . . 0.0 111.287 177.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.9 m -70.24 -42.29 72.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.023 0.44 . . . . 0.0 109.842 176.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.37 -25.63 73.66 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.13 177.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.437 HD12 HG12 ' A' ' 92' ' ' VAL . 12.1 tp -62.57 -53.67 51.21 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.278 0.561 . . . . 0.0 110.081 178.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.75 -30.86 71.89 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.934 178.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.01 84.29 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.646 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -64.88 -42.25 94.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.513 177.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -58.76 -46.67 86.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.377 175.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 t -61.51 -38.96 89.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.158 178.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -79.66 -16.03 56.5 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 120.9 0.381 . . . . 0.0 111.771 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.97 13.26 72.28 Favored Glycine 0 CA--C 1.523 0.577 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.406 -177.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -84.32 79.29 9.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.322 0.582 . . . . 0.0 110.553 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -62.22 -36.18 81.16 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.745 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -56.1 -47.47 78.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.439 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.3 t -65.79 -38.68 82.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.761 -177.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.437 HG12 HD12 ' A' ' 80' ' ' LEU . 90.1 t -58.39 -50.28 79.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.514 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -67.72 -35.36 78.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.343 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -58.86 -49.06 79.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.092 0.473 . . . . 0.0 110.6 173.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.557 HD21 ' HA ' ' A' ' 57' ' ' LYS . 98.7 mt -63.67 -32.82 74.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.405 -179.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 92' ' ' VAL . 30.0 mm-40 -56.87 -38.11 72.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.216 178.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.6 t -62.44 -44.85 99.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.32 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.478 ' HB3' ' CH2' ' A' ' 76' ' ' TRP . 89.1 m-85 -68.35 -38.0 81.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.213 -175.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.4 -32.44 68.62 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.953 0.406 . . . . 0.0 111.696 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -65.36 -44.9 86.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.087 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -55.35 -43.6 75.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.391 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 102' ' ' LEU . 12.4 mt -67.63 -31.65 71.8 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.08 -34.56 73.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.884 0.374 . . . . 0.0 110.443 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -73.21 -34.53 65.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.031 0.443 . . . . 0.0 110.317 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.68 -42.49 86.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.458 175.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.46 -35.06 70.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.961 -177.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.733 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.561 178.697 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.9 mt . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.841 0.353 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.8 p -59.56 -43.28 93.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.718 -177.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -69.21 -39.85 78.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.133 -174.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -73.99 -32.2 63.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.5 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.504 ' HB3' HD11 ' A' ' 25' ' ' LEU . 75.2 mt -68.03 -47.14 69.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.729 0.299 . . . . 0.0 110.923 176.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.68 -32.75 73.88 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.356 0.598 . . . . 0.0 110.399 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.19 -28.27 67.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.511 178.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.3 ttp -58.25 -25.14 61.39 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.638 -175.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.573 ' HA ' ' O ' ' A' ' 16' ' ' THR . 60.6 mt -58.04 -35.71 71.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.955 0.407 . . . . 0.0 110.808 177.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.44 -6.05 52.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.647 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -86.92 2.74 48.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.976 0.417 . . . . 0.0 110.688 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.41 39.07 3.8 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.967 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.573 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 24.8 m -150.09 96.01 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -115.49 106.0 13.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.966 0.412 . . . . 0.0 111.328 -176.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -147.81 165.51 30.34 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 176.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.808 ' HE3' ' HB3' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -85.06 -24.07 28.28 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 171.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.54 67.15 2.02 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.997 -178.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.5 ' O ' HG23 ' A' ' 24' ' ' THR . 4.0 pp -175.63 -34.52 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.671 -1.15 . . . . 0.0 109.222 175.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.764 ' HA ' HD12 ' A' ' 25' ' ' LEU . 74.0 mtt180 -70.83 -13.6 62.1 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.758 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -62.75 -40.41 97.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.582 0.23 . . . . 0.0 110.687 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 21' ' ' LEU . 14.8 t -69.82 -34.07 73.18 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.764 HD12 ' HA ' ' A' ' 22' ' ' ARG . 7.2 mp -63.26 -50.25 70.9 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 176.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.45 ' HA3' HD23 ' A' ' 42' ' ' LEU . . . -60.45 -43.08 99.14 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.373 -178.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -63.19 -38.78 92.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.751 0.31 . . . . 0.0 110.259 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.0 m -68.4 -37.68 80.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.973 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.438 ' HD2' ' HA2' ' A' ' 26' ' ' GLY . 50.3 m-85 -59.59 -47.3 86.11 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 174.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.09 -45.18 93.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.966 -178.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.18 -22.63 66.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.39 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -91.12 7.14 42.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 69.44 15.76 8.31 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.856 0.862 . . . . 0.0 110.744 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -95.02 43.77 1.09 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -178.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.628 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 90.6 m-85 -55.09 -34.77 63.92 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.05 -177.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -53.01 -50.69 63.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.939 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.48 -28.87 56.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.273 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.12 -38.37 85.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.585 -177.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.424 ' HB3' ' HD3' ' A' ' 40' ' ' PRO . 1.6 tt -53.58 -54.81 41.71 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.233 -173.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD3' ' HB3' ' A' ' 39' ' ' LEU . 45.9 Cg_endo -71.24 -30.81 15.33 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.519 1.479 . . . . 0.0 112.491 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.55 -40.46 76.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.048 0.451 . . . . 0.0 110.158 -177.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.45 HD23 ' HA3' ' A' ' 26' ' ' GLY . 79.1 mt -71.97 -45.09 62.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.738 175.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -59.21 -38.34 79.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.177 -177.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.9 -43.64 98.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.765 0.317 . . . . 0.0 110.994 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.49 -42.55 74.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.02 0.438 . . . . 0.0 110.697 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.468 HD22 ' HB1' ' A' ' 55' ' ' ALA . 83.5 mt -64.96 -25.03 67.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.339 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.77 -33.73 76.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.916 0.388 . . . . 0.0 110.237 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -78.11 -44.12 27.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.63 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.808 ' HB3' ' HE3' ' A' ' 19' ' ' MET . 9.1 t70 -146.83 88.07 6.09 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 121.148 0.499 . . . . 0.0 110.175 -177.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.88 -2.79 10.85 Favored 'Trans proline' 0 N--CA 1.469 0.063 0 C-N-CA 123.141 2.561 . . . . 0.0 113.488 -174.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.61 -1.64 14.31 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -173.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -78.52 88.98 4.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.481 0.658 . . . . 0.0 110.775 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.853 ' HB2' HG22 ' A' ' 91' ' ' VAL . 9.8 p -55.98 -36.73 68.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.857 -1.065 . . . . 0.0 113.172 -175.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.1 t -57.08 -36.54 51.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.071 0.462 . . . . 0.0 111.06 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.468 ' HB1' HD22 ' A' ' 46' ' ' LEU . . . -70.95 -28.63 64.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.812 -176.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.631 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 19.5 m0 -63.51 -47.29 82.29 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.55 0.69 . . . . 0.0 110.036 -178.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.571 ' HA ' HD21 ' A' ' 95' ' ' LEU . 21.5 tttt -62.26 -40.84 97.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.629 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -75.4 -28.54 59.48 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.405 ' O ' ' HB ' ' A' ' 62' ' ' THR . 6.7 tt -58.17 -41.65 84.29 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.424 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -60.65 -44.04 98.32 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.225 176.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -66.9 -24.69 66.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.719 0.295 . . . . 0.0 110.896 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.628 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 72.6 m -63.35 -49.52 73.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.345 178.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.41 -38.54 87.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.759 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 17.6 tm0? -60.18 -50.11 74.95 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.329 -178.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.34 -22.31 76.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.562 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.27 -28.88 66.69 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 120.91 8.5 8.02 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.98 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -113.57 93.08 4.22 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HD3' ' CB ' ' A' ' 105' ' ' GLU . 28.0 ttm-85 -66.25 -38.57 88.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.78 -177.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.83 84.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.389 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.39 -28.92 73.71 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.66 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.34 -50.73 62.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.664 0.269 . . . . 0.0 111.102 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 50.0 ptt85 -67.3 -41.98 84.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.478 -176.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -64.65 -33.62 76.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.935 0.398 . . . . 0.0 110.464 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.86 99.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.601 178.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.508 ' CD1' HD23 ' A' ' 95' ' ' LEU . 12.1 m0 -71.08 -37.05 72.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.859 178.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.97 -40.3 92.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.873 0.368 . . . . 0.0 110.338 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.2 t -73.6 -41.61 62.62 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.552 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.95 -28.41 73.63 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 121.273 -0.489 . . . . 0.0 112.895 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.439 HD13 HG12 ' A' ' 92' ' ' VAL . 12.5 tp -59.42 -49.16 78.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.076 0.465 . . . . 0.0 110.155 178.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.12 71.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.599 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.34 96.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.022 0.439 . . . . 0.0 110.104 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.27 -41.16 73.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.49 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -58.27 -41.85 85.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.972 176.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.0 m -56.22 -39.58 72.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.107 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.8 mmt-85 -90.22 -13.46 35.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.885 0.374 . . . . 0.0 111.785 178.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.73 38.13 57.03 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.647 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.474 ' O ' HG22 ' A' ' 92' ' ' VAL . 10.2 t0 -92.39 88.24 6.32 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.512 0.672 . . . . 0.0 109.206 -179.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -60.31 -35.67 76.13 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.282 -176.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -56.82 -48.25 78.42 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.789 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.853 HG22 ' HB2' ' A' ' 53' ' ' SER . 98.0 t -70.58 -37.66 70.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.709 -177.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.484 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 91.2 t -58.17 -51.06 75.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.307 177.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -61.81 -39.65 92.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.336 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -58.65 -49.41 77.62 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.16 0.505 . . . . 0.0 111.224 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.571 HD21 ' HA ' ' A' ' 57' ' ' LYS . 90.7 mt -67.86 -32.33 72.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.224 -177.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 92' ' ' VAL . 19.5 mm-40 -56.8 -37.37 71.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.826 176.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.72 -41.83 85.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 121.034 0.445 . . . . 0.0 110.508 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -65.48 -32.86 74.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.351 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.47 -35.61 79.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.063 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 27.1 mtt180 -71.45 -44.82 64.09 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.903 0.858 . . . . 0.0 109.076 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -56.49 -47.99 78.08 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 113.654 -1.612 . . . . 0.0 110.752 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.99 -42.69 76.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.442 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.78 -37.83 74.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.507 -177.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -61.71 -33.77 74.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.16 177.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.459 ' CB ' ' HD3' ' A' ' 69' ' ' ARG . 54.9 mt-10 -75.34 -47.26 28.5 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 120.68 0.276 . . . . 0.0 111.129 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -67.23 -37.0 82.84 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.102 0.477 . . . . 0.0 110.396 -176.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.39 178.017 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.462 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 81.4 mt . . . . . 0 CA--C 1.53 0.176 0 CA-C-O 120.968 0.413 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.481 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 17.8 p -61.53 -49.55 76.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.153 -176.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -65.44 -37.93 88.37 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -175.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 4' ' ' ILE . 8.2 ppt_? -72.11 -31.0 65.64 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.61 -0.436 . . . . 0.0 109.933 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.55 ' HB3' HD13 ' A' ' 25' ' ' LEU . 63.0 mt -64.43 -45.26 88.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.199 171.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 5' ' ' THR . 43.5 mt-10 -59.96 -36.08 76.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.693 177.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.39 72.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.28 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 86.0 mtp -60.86 -33.27 72.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.892 0.377 . . . . 0.0 110.558 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.48 -30.66 61.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.951 0.405 . . . . 0.0 110.174 176.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.13 -37.4 69.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.052 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -77.46 -8.43 57.75 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.411 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.23 21.48 29.78 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.762 -0.732 . . . . 0.0 113.552 173.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 m -96.58 45.83 1.06 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.585 0.707 . . . . 0.0 110.088 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -73.42 143.05 46.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.835 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.464 ' O ' ' HB2' ' A' ' 19' ' ' MET . 21.3 m-80 -147.06 -13.97 0.41 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.0 -175.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.464 ' HB2' ' O ' ' A' ' 18' ' ' ASN . 72.6 mmm 73.68 -50.0 0.69 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.966 -173.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.91 60.25 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.689 . . . . 0.0 110.15 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -160.69 -48.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.411 -177.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.89 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.2 ptp85 -69.95 -10.07 57.29 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -69.54 -31.86 70.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.092 0.472 . . . . 0.0 110.74 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.5 m -66.45 -34.0 76.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.158 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.89 HD11 ' HA ' ' A' ' 22' ' ' ARG . 8.3 mp -56.75 -45.82 81.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.029 -178.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.474 ' HA3' HD22 ' A' ' 42' ' ' LEU . . . -64.2 -33.13 86.42 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.375 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.97 -46.78 89.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.42 0.153 . . . . 0.0 111.147 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.8 m -57.81 -42.04 83.43 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.451 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -62.9 -42.88 99.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.949 0.404 . . . . 0.0 110.122 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.51 -37.71 80.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.134 -177.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -71.11 -22.44 62.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.185 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -88.59 7.72 31.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.615 175.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 63.64 20.87 12.46 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.718 -178.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -108.0 71.94 0.83 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.498 ' HB2' ' HB2' ' A' ' 66' ' ' GLN . 83.2 m-85 -67.48 -34.44 77.17 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.644 -177.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.48 -37.73 65.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.018 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.429 ' O ' ' HD2' ' A' ' 41' ' ' HIS . . . -73.15 -27.87 61.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.166 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.6 -37.54 73.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.414 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.403 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 7.6 mp -49.7 -54.45 31.39 Favored Pre-proline 0 N--CA 1.472 0.671 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -173.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 18.7 Cg_endo -61.7 -40.43 45.93 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 121.811 1.674 . . . . 0.0 112.842 -176.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.429 ' HD2' ' O ' ' A' ' 37' ' ' ALA . 91.0 m-70 -72.09 -41.69 67.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.898 -177.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.474 HD22 ' HA3' ' A' ' 26' ' ' GLY . 89.3 mt -67.0 -42.09 85.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.684 179.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -67.28 -31.28 71.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.299 -178.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.35 96.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.477 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.45 -37.48 87.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.645 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.444 HD11 HD22 ' A' ' 59' ' ' LEU . 96.4 mt -64.85 -25.09 67.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.177 178.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -71.12 -37.32 72.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.312 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -78.73 -43.8 24.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.104 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.464 ' HB3' ' HE3' ' A' ' 19' ' ' MET . 41.1 t0 -145.06 88.76 6.69 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-O 121.07 0.462 . . . . 0.0 110.717 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -68.23 -3.93 11.75 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 123.042 2.494 . . . . 0.0 112.4 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.37 6.59 44.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.929 -177.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.481 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 12.4 t80 -72.82 93.62 1.71 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.33 -179.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.595 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 28.3 p -59.58 -34.5 72.8 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.51 -174.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.481 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 85.3 t -62.59 -36.6 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.004 0.431 . . . . 0.0 110.587 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -70.51 -32.33 69.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.024 -177.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.595 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 39.0 m0 -57.33 -47.38 81.72 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.167 0.508 . . . . 0.0 109.817 179.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.884 ' HA ' HD22 ' A' ' 95' ' ' LEU . 35.2 ttpt -66.15 -37.0 84.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.385 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -67.92 -34.33 76.42 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 88.8 mt -56.39 -52.27 65.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.584 0.23 . . . . 0.0 111.521 -177.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.421 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -61.11 -42.42 99.78 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.279 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -59.33 -45.54 91.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.955 0.407 . . . . 0.0 111.094 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.3 m -64.29 -49.12 73.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.657 -175.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 59' ' ' LEU . 3.9 mm? -61.33 -46.0 92.07 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.223 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -62.68 -40.45 97.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.542 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.76 -42.16 98.66 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.355 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.498 ' HB2' ' HB2' ' A' ' 35' ' ' PHE . 56.3 tp60 -66.93 -38.14 85.62 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.977 0.418 . . . . 0.0 110.474 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.83 18.16 2.19 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.972 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -107.98 86.69 2.34 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 69' ' ' ARG . 27.1 ttp85 -65.4 -34.98 79.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.984 -177.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.36 -46.78 72.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.567 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.94 -36.62 93.29 Favored Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.804 177.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.49 -50.32 74.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.615 0.245 . . . . 0.0 110.427 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -59.87 -43.62 94.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.447 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -56.84 -45.61 82.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.085 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.08 -40.39 86.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.544 ' CD1' HD21 ' A' ' 95' ' ' LEU . 12.7 m0 -64.82 -48.37 74.62 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.674 -179.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.19 -38.53 90.76 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.93 0.395 . . . . 0.0 110.789 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 t -65.66 -47.9 73.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.222 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.64 -27.89 72.84 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.14 -0.553 . . . . 0.0 112.38 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 76' ' ' TRP . 9.0 tp -64.28 -53.94 41.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 0.0 110.187 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.2 -30.86 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.519 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.94 -44.5 89.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.036 0.446 . . . . 0.0 109.811 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.427 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -69.66 -38.13 76.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.767 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.474 ' OE1' HG23 ' A' ' 92' ' ' VAL . 14.5 mm100 -60.88 -44.6 96.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 110.762 175.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.6 t -66.43 -34.77 78.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.557 177.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -75.57 -14.17 60.38 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 122.942 0.497 . . . . 0.0 111.108 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.32 28.27 64.24 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.115 -177.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -105.7 87.86 2.69 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.357 0.599 . . . . 0.0 109.476 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -64.35 -36.4 84.02 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.192 -178.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.644 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 35.5 tt0 -56.54 -48.22 77.76 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 -178.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.88 -39.04 83.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 120.958 0.409 . . . . 0.0 110.653 -176.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.474 HG23 ' OE1' ' A' ' 84' ' ' GLN . 66.2 t -59.27 -51.44 72.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.55 177.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -67.66 -30.17 69.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.728 -177.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.644 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 42.2 mt-10 -64.96 -49.6 69.68 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.899 0.381 . . . . 0.0 110.3 175.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.884 HD22 ' HA ' ' A' ' 57' ' ' LYS . 67.6 mt -66.67 -31.64 72.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.132 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.522 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 35.0 tt0 -56.55 -36.41 69.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.993 177.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.19 -40.88 84.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 110.282 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -66.82 -37.06 83.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.724 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.63 -33.05 75.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.246 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 32.1 mtm-85 -69.12 -47.09 66.03 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.404 0.621 . . . . 0.0 110.065 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -61.67 -41.03 97.0 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.063 175.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.9 tp -58.53 -34.35 70.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.124 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.96 -36.55 83.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -68.23 -40.71 81.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.974 177.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.29 -40.79 90.27 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.286 177.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -56.8 -44.7 82.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.947 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.914 -178.833 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.546 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 38.0 mm . . . . . 0 N--CA 1.469 0.499 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.9 t -55.86 -32.52 63.71 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -173.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.4 -40.52 67.15 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 118.632 0.651 . . . . 0.0 111.031 -175.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -73.5 -31.02 63.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 0.0 110.238 177.878 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.543 ' HG ' HG23 ' A' ' 4' ' ' ILE . 98.9 mt -63.64 -43.98 95.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.128 0.49 . . . . 0.0 109.734 172.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -62.49 -32.09 72.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.444 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.48 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -61.33 -43.18 99.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.993 177.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.435 ' HE1' ' HA ' ' A' ' 8' ' ' LEU . 54.7 mtm -64.9 -36.3 83.93 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.209 0.528 . . . . 0.0 110.081 177.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.24 -40.47 90.36 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 176.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.31 -7.9 50.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.775 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 82.5 mm-40 -97.02 8.39 44.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.986 0.422 . . . . 0.0 110.139 176.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.39 25.21 48.4 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.275 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.0 m -104.12 80.93 1.78 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.336 0.589 . . . . 0.0 109.989 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -91.38 105.58 17.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.224 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.465 ' HB2' ' HB2' ' A' ' 21' ' ' LEU . 7.4 m120 -117.45 148.26 41.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.342 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.4 ' HE1' ' O ' ' A' ' 45' ' ' ALA . 15.5 tpt -64.74 -41.44 95.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.928 177.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.26 20.22 2.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.797 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.465 ' HB2' ' HB2' ' A' ' 18' ' ' ASN . 47.9 tp -113.49 -52.43 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.878 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -53.27 -41.25 65.36 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.116 0.484 . . . . 0.0 110.826 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -68.24 -40.34 82.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.832 -178.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.3 m -64.4 -36.59 84.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.431 -177.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 mp -60.88 -44.93 96.4 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.817 0.341 . . . . 0.0 110.197 175.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.25 -43.92 98.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.098 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -56.94 -45.41 82.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.007 0.432 . . . . 0.0 110.912 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.8 m -69.25 -41.01 77.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.451 -175.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -66.58 -41.77 88.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.928 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.6 90.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.326 . . . . 0.0 110.92 -176.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -58.16 -32.15 67.93 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.143 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -100.04 22.26 11.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.174 -176.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 75.17 9.77 3.79 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.299 0.571 . . . . 0.0 111.593 171.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.48 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 5.9 tp60 -91.86 48.46 1.44 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.612 0.72 . . . . 0.0 109.122 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -50.49 -34.37 24.79 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.437 -175.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -52.2 -48.93 64.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.04 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.19 -27.14 59.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.462 -175.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.81 -38.87 73.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.65 -177.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.405 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 5.3 mp -52.44 -54.38 42.93 Favored Pre-proline 0 N--CA 1.47 0.572 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -173.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 25.2 Cg_endo -64.27 -33.81 58.18 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 121.697 1.598 . . . . 0.0 112.477 -178.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -71.75 -46.35 58.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.43 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.36 -36.29 78.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.715 0.293 . . . . 0.0 110.839 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -63.42 -42.17 98.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.116 178.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.25 -43.32 91.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.755 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.4 ' O ' ' HE1' ' A' ' 19' ' ' MET . . . -60.66 -44.62 96.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 111.207 179.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.453 HD21 ' HB2' ' A' ' 55' ' ' ALA . 43.7 mt -67.42 -25.88 66.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.329 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.24 -40.34 74.51 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.119 0.485 . . . . 0.0 109.898 176.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -74.11 -44.44 53.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.104 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.416 ' OD1' HG22 ' A' ' 51' ' ' THR . 5.2 t0 -151.05 88.73 4.41 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-O 121.024 0.44 . . . . 0.0 111.034 -175.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -68.2 -3.41 10.73 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 123.442 2.761 . . . . 0.0 113.66 -175.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.416 HG22 ' OD1' ' A' ' 49' ' ' ASP . 1.3 t -79.73 -7.94 58.93 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -174.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -75.51 96.46 3.49 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.034 0.445 . . . . 0.0 111.423 -178.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.646 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 10.9 p -60.1 -31.41 70.02 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.992 -179.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.6 t -57.69 -36.59 55.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.373 177.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.453 ' HB2' HD21 ' A' ' 46' ' ' LEU . . . -69.78 -40.4 76.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.511 -178.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.646 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 3.5 m0 -60.98 -47.79 84.81 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.773 0.797 . . . . 0.0 109.505 -179.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.954 ' HA ' HD21 ' A' ' 95' ' ' LEU . 72.0 tttt -65.47 -42.55 92.16 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.507 -1.224 . . . . 0.0 111.921 -176.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -74.32 -33.98 63.34 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -60.9 -44.13 97.57 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.457 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -61.85 -43.94 98.53 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.39 176.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -58.15 -41.18 83.21 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.003 0.43 . . . . 0.0 110.721 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.1 m -62.49 -49.23 76.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.322 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.22 -34.52 76.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.596 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -67.18 -38.52 85.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.969 0.414 . . . . 0.0 110.163 176.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.91 -26.91 71.55 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.558 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -84.06 -28.51 27.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.948 0.404 . . . . 0.0 110.217 177.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.26 44.29 4.73 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.355 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -112.72 103.56 11.59 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -57.67 -49.72 75.56 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.944 -174.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.77 -47.76 65.4 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -177.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.8 -40.93 97.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.873 -176.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.22 -47.43 70.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.863 0.363 . . . . 0.0 110.59 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -62.36 -38.34 89.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.005 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -56.96 -45.92 82.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.344 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.65 -43.38 80.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.645 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.54 ' CD1' HD23 ' A' ' 95' ' ' LEU . 11.6 m0 -66.38 -48.75 69.13 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -64.17 -35.33 80.43 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.925 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.6 m -70.8 -43.3 68.96 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 177.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.45 -30.63 62.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.387 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.58 -49.0 76.99 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.17 -34.08 74.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.064 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.84 96.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.01 0.433 . . . . 0.0 109.878 176.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.43 -38.37 84.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.632 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -58.11 -51.16 70.86 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.155 174.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.9 m -57.45 -39.17 75.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.497 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -79.23 -12.55 59.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.655 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.07 29.51 72.28 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.039 -176.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.45 ' O ' HG22 ' A' ' 92' ' ' VAL . 8.4 t70 -99.04 83.84 2.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.396 0.617 . . . . 0.0 109.859 -177.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -63.48 -30.88 71.93 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.12 -0.946 . . . . 0.0 112.32 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -57.54 -48.22 79.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.402 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.437 HG22 ' HB2' ' A' ' 53' ' ' SER . 74.1 t -68.29 -38.09 78.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.77 0.319 . . . . 0.0 110.774 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 88' ' ' ASP . 97.0 t -57.96 -48.76 83.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.226 178.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.473 ' O ' HG21 ' A' ' 97' ' ' VAL . 59.5 mtmt -67.7 -32.12 72.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.892 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -63.49 -50.66 68.78 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 121.077 0.465 . . . . 0.0 111.129 175.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.954 HD21 ' HA ' ' A' ' 57' ' ' LYS . 69.3 mt -69.49 -32.09 70.76 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.83 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.514 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 36.1 tt0 -56.97 -37.94 72.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.022 177.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.473 HG21 ' O ' ' A' ' 93' ' ' LYS . 91.5 t -60.96 -44.82 98.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 121.004 0.43 . . . . 0.0 110.625 177.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -67.28 -31.01 71.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.991 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.449 HD23 ' HB3' ' A' ' 76' ' ' TRP . 93.4 mt -63.58 -38.17 90.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.64 177.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 21.2 mmt180 -64.85 -49.63 69.83 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 121.816 0.817 . . . . 0.0 109.628 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -56.59 -41.43 76.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.196 -1.366 . . . . 0.0 111.103 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.499 ' HG ' ' HZ3' ' A' ' 76' ' ' TRP . 3.2 tm? -60.86 -43.72 97.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.367 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.04 -32.6 73.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.354 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 73.6 mtt-85 -70.93 -39.96 72.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.669 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -65.91 -39.42 90.57 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.09 175.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.27 -49.02 75.42 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.654 174.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.183 -177.852 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.468 ' O ' HD22 ' A' ' 8' ' ' LEU . 65.8 mt . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 121.302 0.572 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.491 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 17.6 m -60.51 -52.74 63.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.429 -176.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -69.17 -38.13 78.56 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -172.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -64.92 -37.26 87.06 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.385 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.516 ' HA ' ' HG2' ' A' ' 11' ' ' MET . 3.8 mm? -67.26 -41.75 85.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.028 176.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 5' ' ' THR . 51.5 mm-40 -56.37 -44.63 80.36 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.892 0.377 . . . . 0.0 110.772 177.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.58 -48.87 65.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.45 -178.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.516 ' HG2' ' HA ' ' A' ' 8' ' ' LEU . 26.7 ptm -69.93 -32.17 70.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.582 0.23 . . . . 0.0 111.185 -174.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.38 -44.73 96.66 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 177.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.71 -21.98 64.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.427 -178.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -78.53 -9.52 59.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.899 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.97 26.66 5.43 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.726 -0.749 . . . . 0.0 113.053 177.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.5 m -108.96 79.56 1.23 Allowed 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.144 0.497 . . . . 0.0 110.819 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -91.09 92.05 8.54 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.43 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 15.4 t-20 -85.5 170.38 12.7 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.506 -174.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.555 ' HE1' ' HB2' ' A' ' 49' ' ' ASP . 24.9 ttt -76.1 -50.93 13.34 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.371 -176.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -85.04 15.3 4.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.747 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.67 ' HB3' HH11 ' A' ' 22' ' ' ARG . 0.3 OUTLIER -56.24 -42.14 76.87 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.932 -179.614 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.67 HH11 ' HB3' ' A' ' 21' ' ' LEU . 4.6 mpt_? -69.63 -40.45 76.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.547 -177.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -69.92 -42.43 73.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.312 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 t -64.29 -34.59 78.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.184 -175.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.2 mt -71.82 -36.65 70.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.945 0.402 . . . . 0.0 110.475 175.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.477 ' HA2' ' HD2' ' A' ' 29' ' ' TYR . . . -60.88 -28.37 68.38 Favored Glycine 0 C--N 1.332 0.354 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.528 179.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HE2' ' CZ2' ' A' ' 58' ' ' TRP . 16.2 mmtp -56.14 -49.86 72.74 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.765 0.317 . . . . 0.0 111.056 177.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.5 m -67.69 -33.72 75.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.242 -176.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.477 ' HD2' ' HA2' ' A' ' 26' ' ' GLY . 48.8 m-85 -66.89 -46.35 75.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.748 0.308 . . . . 0.0 110.18 176.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.79 -41.87 74.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.217 -175.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -68.46 -22.58 64.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.07 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -96.51 18.07 14.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 110.968 175.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 68.68 15.4 9.05 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.824 172.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -97.93 71.11 2.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.376 0.608 . . . . 0.0 109.91 175.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.405 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 93.2 m-85 -67.33 -30.72 70.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.514 179.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -56.82 -48.42 78.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.586 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.419 ' O ' ' HD2' ' A' ' 41' ' ' HIS . . . -74.64 -32.1 62.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.366 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.47 -38.69 71.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.839 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.439 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 1.8 tt -51.81 -53.76 47.52 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -172.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 18.8 Cg_endo -59.71 -33.69 96.38 Favored 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 122.106 1.871 . . . . 0.0 112.734 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.419 ' HD2' ' O ' ' A' ' 37' ' ' ALA . 60.6 m-70 -71.56 -44.41 64.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.638 0.256 . . . . 0.0 110.718 -178.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.65 -38.99 88.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.727 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 43' ' ' ARG . 32.3 ttt85 -61.98 -42.76 99.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.711 0.291 . . . . 0.0 110.603 177.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.47 -34.95 77.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.883 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.92 -47.53 62.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.011 177.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.0 mt -65.38 -29.05 69.73 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 111.892 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.2 -45.53 92.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.263 0.554 . . . . 0.0 110.298 176.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -83.31 -39.1 21.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.252 -177.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.555 ' HB2' ' HE1' ' A' ' 19' ' ' MET . 57.6 t0 -120.0 86.54 37.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.938 0.399 . . . . 0.0 111.262 -177.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.65 -4.24 14.97 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.924 2.416 . . . . 0.0 111.905 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.62 5.86 43.98 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -177.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.594 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 10.0 t80 -88.12 86.76 7.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.021 0.439 . . . . 0.0 110.059 179.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.571 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 3.8 m -48.71 -42.05 33.8 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.268 -178.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.594 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 38.2 t -58.8 -35.93 58.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.137 -178.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.9 -31.2 64.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.504 -176.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.571 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 6.9 m0 -61.88 -47.96 82.67 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 176.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.58 ' HE3' ' HB3' ' A' ' 94' ' ' GLU . 29.9 tttm -66.12 -36.86 84.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.553 -177.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.444 ' CZ2' ' HE2' ' A' ' 27' ' ' LYS . 23.0 m95 -74.85 -31.38 61.62 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 178.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -60.33 -45.25 94.1 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.65 -41.06 99.87 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.995 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -62.62 -36.19 81.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.844 0.354 . . . . 0.0 111.311 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.405 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 58.4 m -64.95 -42.37 94.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.604 179.019 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.27 -32.62 71.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.481 178.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.424 HE21 ' HH2' ' A' ' 76' ' ' TRP . 6.6 tp-100 -59.17 -49.38 78.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.383 175.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.45 -27.06 68.48 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.537 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -71.61 -16.6 62.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.075 0.465 . . . . 0.0 110.455 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.61 22.98 48.66 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.455 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -109.69 89.29 2.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -66.37 -31.37 72.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.17 -176.921 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.01 -49.53 60.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.321 . . . . 0.0 110.786 -178.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.4 -40.72 96.44 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.865 178.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.14 -41.95 85.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.893 0.378 . . . . 0.0 110.707 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -51.9 65.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.274 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -70.62 -36.56 73.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.461 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.38 -40.68 89.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.611 -177.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.524 ' CD1' HD23 ' A' ' 95' ' ' LEU . 12.0 m0 -66.68 -35.66 80.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.922 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -60.01 -40.51 89.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.051 0.453 . . . . 0.0 110.178 174.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.1 t -71.77 -37.45 70.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.125 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.09 -39.86 94.84 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.201 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.5 -47.86 84.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.33 0.11 . . . . 0.0 110.913 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.49 -32.6 74.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.697 0.284 . . . . 0.0 111.075 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.408 ' O ' ' HD2' ' A' ' 86' ' ' ARG . . . -66.97 -45.31 78.09 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.56 -39.49 84.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.803 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.625 HE21 HG22 ' A' ' 92' ' ' VAL . 22.8 mm-40 -61.4 -44.63 96.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.127 176.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.2 t -64.32 -38.98 92.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.642 178.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.408 ' HD2' ' O ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -76.05 -14.0 60.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.63 0.252 . . . . 0.0 111.469 177.308 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.54 18.28 79.87 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.445 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.447 ' O ' HG23 ' A' ' 92' ' ' VAL . 9.1 t0 -85.73 90.14 7.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.718 0.771 . . . . 0.0 109.767 -176.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -60.49 -41.54 94.46 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.331 -1.304 . . . . 0.0 112.108 -178.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.495 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 40.8 tt0 -56.69 -47.82 79.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.369 -177.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 68.9 t -66.6 -37.89 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.656 -174.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.625 HG22 HE21 ' A' ' 84' ' ' GLN . 67.0 t -58.88 -45.45 91.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.187 177.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.445 ' O ' HG22 ' A' ' 97' ' ' VAL . 55.9 mtmt -67.53 -41.92 83.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.968 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.58 ' HB3' ' HE3' ' A' ' 57' ' ' LYS . 30.2 mt-10 -62.6 -49.05 76.74 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.784 0.326 . . . . 0.0 111.313 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.574 HD21 ' HA ' ' A' ' 57' ' ' LYS . 51.0 mt -66.78 -32.84 74.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.035 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.477 ' HA ' HD11 ' A' ' 99' ' ' LEU . 36.3 tt0 -61.66 -30.69 70.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.684 179.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 93' ' ' LYS . 99.1 t -62.0 -41.66 91.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.569 177.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.417 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 45.5 m-85 -67.15 -34.76 78.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.685 -179.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.477 HD11 ' HA ' ' A' ' 96' ' ' GLN . 97.5 mt -58.45 -37.24 75.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.231 179.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.44 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 16.0 mtt-85 -64.51 -45.27 87.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 109.831 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -66.18 -38.72 88.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.855 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.86 -43.21 93.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.441 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.83 -32.34 71.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.649 -178.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 98.2 mtt180 -59.37 -40.27 85.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.745 0.307 . . . . 0.0 111.026 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -69.36 -42.78 74.77 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.769 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.09 -46.6 86.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.283 0.563 . . . . 0.0 110.526 178.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 114.736 -1.12 . . . . 0.0 112.104 -177.849 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -71.55 171.12 11.97 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.166 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 73.53 114.23 0.06 Allowed 'General case' 0 N--CA 1.465 0.312 0 O-C-N 124.072 0.858 . . . . 0.0 110.912 -177.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.457 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 51.1 mm -63.66 -38.05 81.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.076 -177.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.434 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 11.6 p -59.07 -46.3 88.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.336 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -60.8 -44.44 96.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.998 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -73.26 -32.03 64.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.601 0.239 . . . . 0.0 111.321 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 50.9 mt -66.64 -34.02 76.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.085 177.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 5' ' ' THR . 63.1 mm-40 -51.64 -32.84 30.85 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.381 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.86 -49.53 75.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.432 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.626 ' HE3' HD21 ' A' ' 21' ' ' LEU . 24.3 ptm -76.06 -26.87 56.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.73 0.3 . . . . 0.0 111.175 -177.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.34 -32.89 74.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.381 174.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.14 -6.65 53.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.093 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -92.45 0.48 57.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.331 . . . . 0.0 110.966 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.81 22.71 57.45 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.725 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.6 m -93.55 75.08 4.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.563 0.696 . . . . 0.0 109.744 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -81.46 93.3 6.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.541 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.703 ' HB2' HD11 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -111.9 168.19 9.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.261 -178.262 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.45 ' HE2' ' HB2' ' A' ' 49' ' ' ASP . 24.3 ttt -69.16 -58.04 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.655 -176.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 20' ' ' LEU . 3.8 mm? -65.04 -27.6 68.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.48 -173.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.703 HD11 ' HB2' ' A' ' 18' ' ' ASN . 11.1 mp -61.92 -30.01 70.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.027 0.441 . . . . 0.0 110.736 178.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.5 mtt-85 -70.25 -43.05 71.35 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -69.75 -49.12 56.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.289 -175.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.1 m -56.33 -43.42 79.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.663 0.268 . . . . 0.0 111.418 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.16 -36.27 83.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.014 0.435 . . . . 0.0 111.011 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.4 -37.76 62.61 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.339 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -58.31 -41.32 84.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.73 0.3 . . . . 0.0 111.007 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 m -59.32 -39.75 84.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.34 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -64.72 -42.23 95.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.991 0.424 . . . . 0.0 110.399 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.14 -35.55 74.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.358 -176.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -68.53 -31.23 70.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.736 0.303 . . . . 0.0 110.878 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -84.59 6.84 22.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.459 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.4 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 24.6 mt-10 61.66 25.35 15.27 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.239 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.53 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 5.1 tp60 -96.26 47.48 1.08 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.989 0.9 . . . . 0.0 108.642 177.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.683 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 81.1 m-85 -55.98 -28.76 58.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.685 -176.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -58.73 -49.37 77.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.342 0.591 . . . . 0.0 110.479 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.464 ' HB2' ' HG3' ' A' ' 34' ' ' GLN . . . -74.19 -27.26 60.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.687 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.78 86.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.334 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.3 mt -51.24 -54.5 37.61 Favored Pre-proline 0 N--CA 1.468 0.44 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -174.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -63.53 -37.67 46.57 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 121.77 1.647 . . . . 0.0 112.314 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -70.98 -43.99 66.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.822 -176.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.77 -36.09 75.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.813 0.339 . . . . 0.0 110.607 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -63.74 -40.17 96.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.582 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.29 -39.94 92.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.629 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.88 -45.78 77.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.942 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.7 -26.02 67.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.868 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -67.28 -40.46 86.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.075 0.464 . . . . 0.0 110.25 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -82.04 -45.0 15.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.284 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.45 ' HB2' ' HE2' ' A' ' 19' ' ' MET . 0.9 OUTLIER -139.86 86.31 13.64 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 121.752 0.787 . . . . 0.0 111.36 -177.784 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -80.13 -3.81 12.87 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.855 2.37 . . . . 0.0 113.01 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.1 p -91.25 15.1 12.61 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -174.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.54 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 19.0 t80 -90.88 99.5 12.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.131 0.491 . . . . 0.0 110.428 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.627 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 7.7 p -52.06 -45.18 64.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.129 -0.942 . . . . 0.0 113.318 -176.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.54 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 21.2 t -58.63 -35.51 55.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.874 0.368 . . . . 0.0 110.719 -178.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.89 -38.01 89.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.026 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.627 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 8.5 m0 -60.08 -41.58 92.74 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.783 0.801 . . . . 0.0 109.284 178.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.868 ' HA ' HD22 ' A' ' 95' ' ' LEU . 58.4 tttm -65.22 -35.6 81.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.446 -1.252 . . . . 0.0 111.356 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 87.6 m95 -72.84 -37.76 67.33 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 121.21 -0.196 . . . . 0.0 110.929 176.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.75 -44.6 81.91 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.104 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.446 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -56.76 -44.27 91.77 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.044 176.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.473 ' HA ' ' HG2' ' A' ' 64' ' ' GLN . 43.9 mtpt -66.31 -26.49 67.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 111.373 177.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.683 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 33.3 m -66.62 -49.23 66.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.977 -177.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.5 -41.8 96.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.704 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.473 ' HG2' ' HA ' ' A' ' 61' ' ' LYS . 3.4 pt20 -69.08 -36.0 77.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.909 0.385 . . . . 0.0 110.57 -178.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.41 ' HA3' ' CE2' ' A' ' 35' ' ' PHE . . . -72.13 -34.59 61.35 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.902 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -63.07 -35.73 81.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.323 0.582 . . . . 0.0 109.75 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.25 25.89 5.11 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.426 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -114.08 99.99 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.102 0.477 . . . . 0.0 109.853 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.55 ' HG3' HD11 ' A' ' 102' ' ' LEU . 41.2 ttm105 -65.26 -38.64 90.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.398 -176.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.29 -45.98 74.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.922 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.95 -40.74 97.32 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.388 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.57 97.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.839 0.352 . . . . 0.0 110.663 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -56.12 -52.75 63.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.528 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -66.44 -34.8 78.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.152 -176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.87 -50.04 73.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.45 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.569 ' CD1' HD21 ' A' ' 95' ' ' LEU . 11.1 m0 -66.85 -36.56 82.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.264 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -60.22 -38.38 83.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.996 0.427 . . . . 0.0 110.796 175.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 m -73.55 -43.86 58.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.926 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.04 -25.08 74.56 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 121.055 -0.593 . . . . 0.0 113.231 -176.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.1 tp -59.47 -53.22 60.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.219 0.533 . . . . 0.0 110.484 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.55 -29.79 70.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.294 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.51 88.76 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.556 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -67.97 -36.93 80.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.799 178.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.31 -46.37 90.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.028 174.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.7 t -64.51 -27.45 68.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.205 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.599 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 24.1 mmm180 -89.12 -8.29 54.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.31 . . . . 0.0 111.559 176.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.81 28.72 71.66 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.193 -0.527 . . . . 0.0 112.793 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.439 ' O ' HG22 ' A' ' 92' ' ' VAL . 7.0 t70 -101.61 86.54 2.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.455 0.645 . . . . 0.0 109.932 -178.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -59.7 -35.58 74.77 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.732 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.566 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 9.6 tt0 -57.99 -48.34 80.3 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.179 0.299 . . . . 0.0 110.672 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.2 t -68.8 -37.69 77.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.642 -176.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 88' ' ' ASP . 94.4 t -57.47 -50.7 76.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.079 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.502 ' O ' HG23 ' A' ' 97' ' ' VAL . 59.4 mtmt -67.94 -39.6 83.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.83 -178.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 25.4 mt-10 -59.09 -49.55 77.45 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.949 0.404 . . . . 0.0 111.119 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.868 HD22 ' HA ' ' A' ' 57' ' ' LYS . 60.9 mt -69.77 -33.75 72.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.83 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.684 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 28.8 tt0 -59.96 -42.19 93.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 93' ' ' LYS . 97.5 t -59.96 -45.53 95.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 120.954 0.406 . . . . 0.0 110.917 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -65.6 -38.61 89.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.589 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.484 HD12 ' HB2' ' A' ' 76' ' ' TRP . 53.1 tp -62.5 -32.75 73.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.145 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.684 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 1.1 mmp_? -71.14 -48.89 49.34 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 121.326 0.584 . . . . 0.0 109.884 178.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -57.49 -38.87 75.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.214 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.55 HD11 ' HG3' ' A' ' 69' ' ' ARG . 33.8 tp -64.45 -37.48 87.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.233 0.54 . . . . 0.0 110.509 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.41 -30.34 71.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.224 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 86.0 mtt-85 -65.12 -28.92 69.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.206 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -74.22 -39.58 63.0 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.005 0.431 . . . . 0.0 110.107 174.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -59.24 -39.97 84.47 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.761 0.791 . . . . 0.0 109.405 174.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.614 ' HA ' ' H ' ' A' ' 112' ' ' HIS . . . -55.48 -28.53 55.07 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.794 177.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 94.4 mt -81.04 -54.19 5.76 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -84.34 -30.61 25.36 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.531 0.682 . . . . 0.0 112.233 -172.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -105.2 3.67 30.39 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.374 -176.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.438 ' HA ' ' O ' ' A' ' 107' ' ' ALA . 19.1 t60 47.55 58.98 4.43 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.869 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.614 ' H ' ' HA ' ' A' ' 107' ' ' ALA . 77.6 t60 -97.48 15.46 23.12 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 169.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -62.31 149.52 41.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.098 -1.41 . . . . 0.0 110.24 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -56.88 -27.71 60.89 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.004 0.431 . . . . 0.0 110.889 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.621 -0.704 . . . . 0.0 109.25 175.02 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.482 1.163 0 CA-C-O 120.693 0.282 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -133.18 146.76 51.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.151 0.501 . . . . 0.0 109.943 175.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.15 81.3 1.7 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.53 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.453 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 63.8 mt -60.15 -40.49 83.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.337 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.3 t -59.1 -31.83 69.27 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.216 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -65.51 -46.75 78.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.007 0.432 . . . . 0.0 111.023 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 4' ' ' ILE . 7.3 ppt_? -73.3 -31.25 63.92 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.782 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.579 ' HB3' HD11 ' A' ' 25' ' ' LEU . 77.3 mt -64.46 -41.74 96.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.551 175.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -66.41 -33.88 76.7 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.322 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.89 -47.57 85.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.077 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 88.0 mtp -61.45 -36.8 81.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.619 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 16' ' ' THR . 31.8 tp -58.41 -46.77 85.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.049 175.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.47 -15.33 59.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.658 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -83.32 5.43 23.32 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.02 38.73 1.8 Allowed Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.838 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.426 ' O ' HD13 ' A' ' 12' ' ' LEU . 12.3 m -136.43 56.94 1.79 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.336 0.589 . . . . 0.0 109.486 173.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -68.33 82.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.07 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.438 ' HB3' ' HB3' ' A' ' 21' ' ' LEU . 25.0 t-20 -117.75 155.93 29.16 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.472 -171.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.544 ' HE2' ' CB ' ' A' ' 49' ' ' ASP . 23.3 ttt -81.4 -58.64 2.94 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.89 -175.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.6 tp -62.15 -34.71 76.9 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.954 0.407 . . . . 0.0 110.527 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.438 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . 3.3 tm? -59.75 -57.0 14.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.9 176.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.491 ' HA ' HD12 ' A' ' 25' ' ' LEU . 6.6 ptm180 -68.04 -24.54 65.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.61 0.243 . . . . 0.0 110.742 -176.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -66.07 -36.75 84.04 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.462 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.3 m -58.72 -41.54 86.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.456 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.579 HD11 ' HB3' ' A' ' 8' ' ' LEU . 7.8 mp -59.64 -37.5 78.84 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.476 177.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.69 -45.2 96.85 Favored Glycine 0 C--N 1.333 0.393 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.124 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 48.6 mtpt -61.81 -42.72 99.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.953 0.406 . . . . 0.0 110.36 176.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.0 m -59.08 -40.05 84.03 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.478 -177.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -62.77 -44.41 96.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.751 0.31 . . . . 0.0 110.429 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.04 -37.98 85.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.096 -177.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 27' ' ' LYS . 47.0 mt-10 -71.08 -26.07 62.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.201 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -97.11 18.99 13.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.352 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 68.51 21.1 8.24 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.581 0.705 . . . . 0.0 111.115 173.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.467 ' HG3' ' HB3' ' A' ' 37' ' ' ALA . 17.2 tp60 -97.18 46.1 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.485 ' HB3' HG22 ' A' ' 62' ' ' THR . 92.5 m-85 -50.85 -47.12 60.4 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.861 -1.063 . . . . 0.0 113.054 -170.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -60.99 -39.82 91.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.066 0.46 . . . . 0.0 111.331 -174.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HB3' ' HG3' ' A' ' 34' ' ' GLN . . . -74.25 -27.98 61.01 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.809 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.77 -37.88 82.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.47 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.588 HD13 HE21 ' A' ' 66' ' ' GLN . 30.8 mt -55.9 -53.88 58.17 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -174.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.522 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 16.7 Cg_exo -67.65 -37.74 15.8 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 121.886 1.724 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -63.74 -38.84 92.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.599 -1.182 . . . . 0.0 110.474 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.527 HD23 HD23 ' A' ' 59' ' ' LEU . 35.1 tp -71.58 -36.65 70.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.587 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 57.2 mtt180 -60.45 -33.03 71.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.866 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.35 88.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.01 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.83 -42.27 73.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.025 0.44 . . . . 0.0 110.649 177.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.81 -26.28 68.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.028 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.96 -36.4 83.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.248 0.547 . . . . 0.0 110.493 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -80.91 -43.41 19.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.928 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.544 ' CB ' ' HE2' ' A' ' 19' ' ' MET . 9.4 t70 -141.97 88.87 9.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.804 0.335 . . . . 0.0 110.851 -177.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.76 -7.47 19.61 Favored 'Trans proline' 0 CA--C 1.527 0.156 0 C-N-CA 122.611 2.207 . . . . 0.0 112.228 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.54 ' HB ' ' HD3' ' A' ' 86' ' ' ARG . 4.4 p -96.55 12.4 31.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.502 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.441 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 12.2 t80 -73.08 95.93 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.072 0.463 . . . . 0.0 109.829 178.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.542 ' HB3' HG22 ' A' ' 91' ' ' VAL . 5.7 m -53.15 -42.59 66.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.033 -0.985 . . . . 0.0 112.865 -173.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.441 ' HB ' ' CE1' ' A' ' 52' ' ' TYR . 74.4 t -61.08 -36.19 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.959 0.409 . . . . 0.0 110.828 -177.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.67 -32.18 71.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.482 -176.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.893 ' HH2' ' HG3' ' A' ' 86' ' ' ARG . 20.1 m0 -60.11 -43.37 95.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.449 0.643 . . . . 0.0 110.195 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.736 ' HA ' HD21 ' A' ' 95' ' ' LEU . 36.1 ttmt -64.16 -44.8 90.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.849 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -68.41 -35.94 78.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.43 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.527 HD23 HD23 ' A' ' 42' ' ' LEU . 1.2 tm? -59.38 -51.05 71.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.11 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.65 -40.5 98.84 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.538 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -59.0 -43.43 91.5 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.177 0.513 . . . . 0.0 110.874 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.485 HG22 ' HB3' ' A' ' 35' ' ' PHE . 19.4 m -69.52 -37.08 76.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.375 -175.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.7 mt -63.55 -33.94 76.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? -65.03 -43.71 91.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.09 -20.16 70.71 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.732 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.588 HE21 HD13 ' A' ' 39' ' ' LEU . 15.7 mm-40 -74.21 -23.53 59.21 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.707 0.289 . . . . 0.0 110.796 177.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.23 -5.74 33.98 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.098 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -82.67 89.19 6.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.587 0.708 . . . . 0.0 109.905 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.549 HH22 ' HG2' ' A' ' 109' ' ' GLU . 48.9 ttt180 -57.14 -44.72 83.63 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.978 -177.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.61 -49.11 61.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 111.575 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.14 -40.97 97.91 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.872 -177.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.45 98.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.922 0.391 . . . . 0.0 111.259 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -66.49 -48.64 69.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.086 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -64.37 -34.42 78.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.186 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.18 -45.93 86.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.933 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.52 ' HB3' HD22 ' A' ' 99' ' ' LEU . 10.9 m0 -70.07 -36.19 74.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -60.8 -40.86 94.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.199 0.523 . . . . 0.0 110.177 175.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.2 t -70.88 -42.43 70.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.231 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.07 -30.9 79.07 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.388 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.0 tp -62.34 -45.92 91.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.894 0.378 . . . . 0.0 110.327 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.7 -31.11 72.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.168 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.26 87.68 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 173.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.0 86.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.76 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -60.19 -50.8 72.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.448 174.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.5 m -59.39 -35.63 74.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.236 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.893 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 8.6 mmm180 -76.66 -16.4 59.55 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.15 9.56 60.61 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.318 -174.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.466 ' O ' HG22 ' A' ' 92' ' ' VAL . 5.3 m-20 -75.42 86.58 2.57 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.785 0.802 . . . . 0.0 110.58 -176.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -57.92 -44.16 86.67 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.307 -1.315 . . . . 0.0 112.739 -175.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.529 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 62.9 tt0 -63.31 -40.09 96.38 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.95 -175.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.542 HG22 ' HB3' ' A' ' 53' ' ' SER . 96.5 t -67.68 -37.86 79.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.437 -178.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 88' ' ' ASP . 90.7 t -58.36 -46.27 89.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.054 176.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.55 -38.35 90.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.651 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 35.7 mt-10 -69.4 -49.75 52.35 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.908 0.385 . . . . 0.0 111.036 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.736 HD21 ' HA ' ' A' ' 57' ' ' LYS . 26.6 mt -66.84 -32.0 72.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.093 -178.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.503 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 42.6 tt0 -58.2 -32.04 67.89 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.181 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 51.6 t -60.51 -38.76 79.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.05 0.452 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -65.67 -38.85 90.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.008 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.52 HD22 ' HB3' ' A' ' 76' ' ' TRP . 3.6 mm? -60.16 -38.65 83.83 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.88 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.546 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 38.0 mtt180 -67.41 -49.32 64.3 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-O 122.212 1.006 . . . . 0.0 109.935 -175.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -66.42 -43.39 85.85 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 113.618 -1.628 . . . . 0.0 110.963 -175.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 43.4 tp -69.62 -39.33 77.26 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.044 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.82 -35.82 75.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.279 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 41.1 mtp85 -58.74 -41.69 87.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.083 0.468 . . . . 0.0 110.873 178.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -72.51 -42.17 65.11 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.915 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -71.24 -46.99 59.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.805 -176.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.43 -45.06 95.89 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.301 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.8 mt -79.83 -17.71 52.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.608 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.549 ' HG2' HH22 ' A' ' 69' ' ' ARG . 35.8 mt-10 52.25 54.3 10.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.565 -177.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 61.63 34.26 17.74 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.767 0.794 . . . . 0.0 109.643 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 62.11 18.33 9.93 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.633 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 61.33 22.15 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.335 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -81.92 85.53 6.67 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 172.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 60.59 139.98 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.609 0 O-C-N 124.688 1.243 . . . . 0.0 110.675 -166.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 15.4 t60 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.298 -0.858 . . . . 0.0 109.617 -179.655 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.888 0.375 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -125.11 171.17 10.5 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.273 176.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 67.83 165.83 0.24 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-O 122.041 0.924 . . . . 0.0 111.355 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.6 mm -71.49 -25.38 24.74 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.3 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -52.83 56.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -174.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -61.23 -38.47 86.75 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.782 0.325 . . . . 0.0 111.754 -174.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -73.61 -42.75 61.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.304 -176.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.527 ' HB2' HD21 ' A' ' 25' ' ' LEU . 35.2 mt -68.34 -45.8 71.88 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.174 -0.211 . . . . 0.0 111.16 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -59.18 -35.06 72.91 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.553 0.216 . . . . 0.0 111.024 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.6 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -69.12 -50.25 49.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.309 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.4 ptm -72.94 -31.82 64.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.166 -176.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.526 HD13 HD12 ' A' ' 25' ' ' LEU . 9.4 tt -62.54 -44.51 96.18 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.31 -18.8 63.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.457 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 28.9 mm-40 -79.25 -8.7 59.24 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.864 0.364 . . . . 0.0 110.585 177.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.44 -6.97 24.64 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.922 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -85.08 70.38 10.9 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.12 0.486 . . . . 0.0 110.505 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.475 ' HB2' ' HG ' ' A' ' 12' ' ' LEU . 21.0 t70 -152.0 162.64 40.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.304 177.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -158.55 -58.96 0.07 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.238 -0.892 . . . . 0.0 108.917 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.691 ' HE2' ' HB3' ' A' ' 45' ' ' ALA . 1.4 tmt? -158.21 -40.73 0.06 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.215 178.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.2 tt -53.96 -56.57 16.62 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.845 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 mp -67.09 -46.55 73.91 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.27 -0.172 . . . . 0.0 111.139 -174.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -55.67 -42.57 75.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.328 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -65.04 -44.76 88.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 110.357 176.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.4 m -62.73 -41.16 99.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.052 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 8' ' ' LEU . 30.8 mt -63.42 -43.18 98.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.915 178.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.94 -45.4 95.18 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.464 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 87.5 tttt -61.7 -40.13 93.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.044 0.45 . . . . 0.0 110.488 176.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.5 m -64.72 -38.8 92.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.174 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -62.12 -39.69 93.42 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.321 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.94 -38.93 92.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.766 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 27' ' ' LYS . 51.2 mt-10 -69.05 -23.28 64.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.955 0.407 . . . . 0.0 110.811 177.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -93.48 8.61 39.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.391 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 62.6 27.14 16.06 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.729 0.776 . . . . 0.0 110.633 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -110.08 47.6 0.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.485 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 76.8 m-85 -53.21 -32.62 49.04 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 114.691 -1.141 . . . . 0.0 112.328 -172.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -55.48 -45.47 76.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.225 0.536 . . . . 0.0 110.819 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.65 -27.78 60.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.901 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.71 77.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.587 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 35' ' ' PHE . 94.0 mt -52.77 -54.28 45.13 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -173.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 18.3 Cg_endo -61.29 -42.56 34.07 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 121.994 1.796 . . . . 0.0 112.654 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -70.82 -36.66 73.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 -176.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.2 tp -70.74 -37.37 73.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.302 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -66.31 -39.44 89.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.485 177.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.73 -31.71 71.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.982 0.42 . . . . 0.0 110.851 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.691 ' HB3' ' HE2' ' A' ' 19' ' ' MET . . . -65.68 -41.99 91.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.521 177.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 55' ' ' ALA . 72.1 mt -73.09 -25.62 60.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.485 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.0 -43.84 94.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.125 0.488 . . . . 0.0 109.753 176.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -82.07 -43.29 18.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.94 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -128.34 87.76 54.38 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.969 0.414 . . . . 0.0 111.161 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -71.02 -4.5 15.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.883 2.389 . . . . 0.0 112.07 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.1 p -101.03 16.16 26.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.567 -176.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -87.37 89.28 7.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.006 0.431 . . . . 0.0 110.205 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.599 ' HA ' ' CE3' ' A' ' 56' ' ' TRP . 2.3 m -50.86 -41.46 58.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.821 -176.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.7 t -58.11 -39.17 71.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.949 0.404 . . . . 0.0 111.002 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.597 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -69.61 -28.76 66.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.432 -176.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.599 ' CE3' ' HA ' ' A' ' 53' ' ' SER . 34.7 m0 -63.63 -49.03 74.88 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.207 0.527 . . . . 0.0 109.964 -178.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.989 ' HA ' HD22 ' A' ' 95' ' ' LEU . 84.5 tttt -67.64 -34.63 77.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.947 178.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -68.71 -27.67 66.16 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 84.3 mt -55.25 -51.56 66.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.018 0.437 . . . . 0.0 110.707 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.654 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -63.61 -41.58 99.06 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.572 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -58.91 -44.8 91.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.009 0.433 . . . . 0.0 110.706 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.1 m -65.0 -42.35 94.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.798 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.56 -31.28 69.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.657 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -67.34 -36.4 81.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.925 0.393 . . . . 0.0 110.537 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.15 -36.25 64.0 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.613 175.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -67.25 -38.38 85.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.817 0.341 . . . . 0.0 110.371 177.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.9 9.29 26.61 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.626 177.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -94.82 87.59 5.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.267 0.556 . . . . 0.0 110.244 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.551 ' HB2' HD11 ' A' ' 102' ' ' LEU . 13.2 ptt-85 -66.48 -33.94 76.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.356 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.32 -48.21 68.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.938 0.399 . . . . 0.0 110.546 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.38 -38.48 95.88 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.245 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.38 -42.96 99.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 110.456 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -58.9 -50.87 72.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.964 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -58.22 -43.84 87.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.879 177.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.49 -47.72 80.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.553 -177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.654 ' NE1' ' HA3' ' A' ' 60' ' ' GLY . 13.7 m0 -63.21 -39.62 95.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.209 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.21 -37.5 85.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.918 0.39 . . . . 0.0 110.596 175.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.1 m -71.01 -46.39 62.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.38 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.63 -30.38 74.73 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.669 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.7 tp -61.64 -53.25 58.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.119 0.485 . . . . 0.0 110.119 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.14 -31.68 72.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.061 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.99 -47.58 77.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.059 0.457 . . . . 0.0 109.774 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.567 ' HA ' ' CZ3' ' A' ' 56' ' ' TRP . . . -63.64 -43.28 97.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.866 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -59.74 -45.48 92.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.124 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 m -66.59 -27.79 68.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.636 ' HA ' ' NE ' ' A' ' 86' ' ' ARG . 5.1 mmp_? -96.47 -13.46 23.07 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.0 22.16 39.64 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.147 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.5 ' O ' HG23 ' A' ' 92' ' ' VAL . 34.0 m-20 -89.54 78.0 7.14 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.323 0.582 . . . . 0.0 110.103 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -60.54 -38.8 85.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.535 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -57.48 -44.84 85.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.431 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.505 HG21 ' HB3' ' A' ' 53' ' ' SER . 47.3 t -68.13 -38.5 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.632 -178.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 88' ' ' ASP . 99.2 t -57.91 -50.9 76.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.323 178.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.462 ' O ' HG23 ' A' ' 97' ' ' VAL . 53.7 mtmt -67.08 -36.55 82.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.818 -177.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -64.01 -49.5 72.17 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.75 0.31 . . . . 0.0 111.609 176.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.989 HD22 ' HA ' ' A' ' 57' ' ' LYS . 54.4 mt -68.5 -32.51 72.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.118 -178.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.462 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 62.5 tt0 -57.6 -40.6 79.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.709 176.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.521 ' O ' ' HG3' ' A' ' 101' ' ' ARG . 88.9 t -62.45 -43.59 98.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.014 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.411 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 61.2 m-85 -60.99 -39.73 90.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.338 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 70.5 mt -57.97 -37.93 75.1 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.103 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.483 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 26.6 mtp180 -69.14 -47.48 64.94 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.725 0.774 . . . . 0.0 109.91 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 97' ' ' VAL . 52.4 mtp85 -59.47 -41.24 89.29 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.776 -179.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.551 HD11 ' HB2' ' A' ' 69' ' ' ARG . 50.5 tp -67.95 -36.75 80.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.727 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.09 -31.14 72.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.205 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.65 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 81.6 mtt-85 -56.66 -44.89 81.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.231 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -64.76 -40.3 95.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.417 0.627 . . . . 0.0 110.855 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -71.29 -44.65 64.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.404 -174.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.575 ' HA ' ' HA ' ' A' ' 112' ' ' HIS . . . -61.74 -26.2 67.92 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.133 -0.939 . . . . 0.0 111.764 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 104' ' ' ARG . 56.7 mt -55.92 -51.95 65.83 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -175.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -88.71 -95.62 0.1 Allowed 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.012 -0.675 . . . . 0.0 112.63 -167.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -116.05 -17.18 10.95 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.858 -173.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.72 45.35 1.22 Allowed 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.575 ' HA ' ' HA ' ' A' ' 107' ' ' ALA . 70.3 t60 -69.42 -28.5 66.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.64 -168.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 72.55 -82.18 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.276 0.63 . . . . 0.0 112.442 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -112.34 134.64 53.77 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -170.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 . . . . . 0 C--O 1.252 1.201 0 O-C-N 124.112 0.883 . . . . 0.0 111.568 175.817 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mtp . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.04 148.02 25.45 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 175.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.552 ' HB2' ' HG3' ' A' ' 6' ' ' GLU . . . -121.24 138.97 53.99 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.396 0.617 . . . . 0.0 110.988 -175.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.47 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 63.9 mt -57.67 -34.05 46.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.597 178.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 p -60.8 -34.17 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.816 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.552 ' HG3' ' HB2' ' A' ' 3' ' ' ALA . 45.0 mt-10 -60.78 -47.91 84.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.012 0.434 . . . . 0.0 110.815 -178.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -73.75 -31.36 63.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.796 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.473 ' HA ' ' HG2' ' A' ' 11' ' ' MET . 76.2 mt -63.22 -51.41 66.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.749 176.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -53.1 -40.13 63.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.079 0.466 . . . . 0.0 110.351 177.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.9 -49.27 68.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.652 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.492 ' HG3' HD21 ' A' ' 12' ' ' LEU . 24.2 ptm -72.44 -32.02 65.94 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.606 0.225 . . . . 0.0 111.606 -175.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.492 HD21 ' HG3' ' A' ' 11' ' ' MET . 4.2 mm? -73.43 -50.56 21.08 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.037 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.78 -21.61 66.51 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -173.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -98.03 16.54 20.78 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 122.204 -0.31 . . . . 0.0 111.234 -175.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.31 -58.35 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.524 -0.845 . . . . 0.0 112.051 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.7 m -140.01 86.49 2.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.906 0.384 . . . . 0.0 110.375 -177.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -72.06 -79.79 0.07 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 54.49 -162.95 0.13 Allowed 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.559 174.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -118.18 -33.32 4.44 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.1 mt -73.51 0.49 12.33 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.479 -0.782 . . . . 0.0 113.074 -171.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.8 mp -125.08 -44.27 1.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.122 0.487 . . . . 0.0 110.963 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -81.07 -7.57 59.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.713 -172.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -69.8 -32.66 71.23 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.683 0.278 . . . . 0.0 110.622 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.3 m -57.29 -33.78 68.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.489 -177.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.6 mp -58.55 -32.97 69.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.108 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.89 -37.78 86.08 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.026 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -61.02 -48.87 79.81 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.114 0.483 . . . . 0.0 109.86 173.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 m -57.64 -42.49 83.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.425 -176.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -60.39 -44.67 95.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.747 177.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.17 -39.28 71.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.076 -176.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -67.01 -31.91 72.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.88 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -88.14 13.91 10.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.656 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 68.45 20.5 8.5 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.498 171.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -103.94 71.67 1.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.586 0.708 . . . . 0.0 109.144 175.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.445 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 62.9 m-85 -66.7 -38.6 87.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.347 -177.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.01 -45.94 86.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.091 -176.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.72 -28.61 62.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.984 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.09 -37.69 72.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.521 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 35' ' ' PHE . 89.0 mt -51.79 -55.09 33.21 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -173.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.433 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 64.6 Cg_endo -74.63 -26.55 11.6 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 121.474 1.45 . . . . 0.0 111.768 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -72.5 -45.88 57.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.479 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.2 tp -71.79 -43.43 65.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.114 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -63.75 -32.11 73.51 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.014 -0.275 . . . . 0.0 110.7 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.01 92.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.867 0.365 . . . . 0.0 110.438 175.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.73 88.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.722 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 55' ' ' ALA . 55.0 mt -66.71 -26.02 66.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.325 177.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.39 -39.36 85.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.218 0.532 . . . . 0.0 109.93 176.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -77.88 -44.59 26.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.203 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -133.23 87.1 39.74 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 120.979 0.418 . . . . 0.0 110.265 -177.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.21 -3.74 14.22 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.741 2.294 . . . . 0.0 112.677 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.1 m -86.26 -11.5 52.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 -176.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.475 ' CZ ' ' HB ' ' A' ' 54' ' ' VAL . 13.8 t80 -74.32 94.27 2.5 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.539 0.685 . . . . 0.0 110.871 -178.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.59 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 4.9 p -60.72 -37.9 83.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.945 -1.025 . . . . 0.0 113.199 -175.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.475 ' HB ' ' CZ ' ' A' ' 52' ' ' TYR . 48.0 t -57.71 -36.4 54.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.827 0.346 . . . . 0.0 110.996 -177.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.506 ' HB3' HD22 ' A' ' 46' ' ' LEU . . . -67.96 -28.21 67.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.425 -177.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.59 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 30.8 m0 -59.27 -46.4 88.62 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.464 0.65 . . . . 0.0 109.585 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.806 ' HA ' HD23 ' A' ' 95' ' ' LEU . 81.5 tttt -66.0 -36.47 83.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.091 -0.958 . . . . 0.0 111.464 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -71.16 -37.61 72.21 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -56.95 -43.3 81.43 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 120.944 0.402 . . . . 0.0 110.811 -175.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.498 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -64.87 -34.87 91.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.408 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -62.72 -39.77 95.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 111.106 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.47 -32.42 66.23 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.856 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.1 mt -69.72 -34.85 74.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.711 0.291 . . . . 0.0 110.704 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -59.26 -36.52 75.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.393 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.29 -16.86 63.17 Favored Glycine 0 CA--C 1.52 0.358 0 CA-C-N 115.837 -0.619 . . . . 0.0 113.077 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -78.24 -15.12 59.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.672 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.25 -3.15 75.86 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.308 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -93.33 92.52 7.72 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.437 ' HB2' HD11 ' A' ' 102' ' ' LEU . 37.9 ptt180 -64.58 -31.35 72.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.882 -175.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.08 -50.41 55.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.733 0.301 . . . . 0.0 111.301 -177.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.21 -35.83 78.17 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.787 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.54 -51.16 71.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.256 . . . . 0.0 111.116 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.601 ' HB3' HD21 ' A' ' 102' ' ' LEU . 23.5 ptt180 -69.24 -33.99 74.12 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.083 -178.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -57.14 -38.99 74.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.607 0.241 . . . . 0.0 111.055 175.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.48 99.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.004 0.431 . . . . 0.0 110.758 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.587 ' CE3' ' HA ' ' A' ' 73' ' ' ARG . 13.6 m0 -66.85 -39.61 87.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.577 178.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.38 -38.28 88.96 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.917 0.389 . . . . 0.0 110.758 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.9 m -68.5 -43.75 76.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.817 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.74 -28.27 73.68 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.958 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.34 -49.33 78.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.989 0.423 . . . . 0.0 110.171 177.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.27 -33.37 75.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.144 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.32 -41.73 96.68 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.3 -42.12 72.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.65 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.456 HE21 HG21 ' A' ' 92' ' ' VAL . 17.3 mm-40 -57.56 -45.84 84.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.811 176.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.5 t -58.3 -39.54 79.63 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.506 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -84.11 -13.53 52.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.73 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.3 24.7 60.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.923 -178.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.436 ' O ' HG22 ' A' ' 92' ' ' VAL . 0.4 OUTLIER -91.97 82.61 5.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.668 0.747 . . . . 0.0 110.504 -176.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -58.22 -43.13 87.56 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.377 -1.283 . . . . 0.0 112.54 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -59.24 -40.07 84.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.711 0.291 . . . . 0.0 110.624 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.4 t -66.53 -40.78 87.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.989 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.456 HG21 HE21 ' A' ' 84' ' ' GLN . 77.6 t -59.49 -45.87 93.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.363 176.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.432 ' O ' HG23 ' A' ' 97' ' ' VAL . 75.8 mmtt -60.71 -47.52 85.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.105 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.48 -45.9 87.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.801 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.806 HD23 ' HA ' ' A' ' 57' ' ' LYS . 84.6 mt -69.24 -37.68 78.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.368 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.598 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 44.7 mt-30 -60.29 -29.88 69.12 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 111.462 0.171 . . . . 0.0 111.462 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 93' ' ' LYS . 93.6 t -59.92 -41.44 85.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-O 120.877 0.37 . . . . 0.0 110.629 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -67.3 -39.03 85.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.575 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.85 -35.46 78.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.577 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.66 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 45.2 mmt-85 -69.7 -53.44 18.53 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 121.161 0.505 . . . . 0.0 110.581 -175.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -59.13 -43.17 91.96 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.952 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.601 HD21 ' HB3' ' A' ' 73' ' ' ARG . 37.6 tp -67.2 -36.01 80.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.126 0.488 . . . . 0.0 110.492 -178.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.41 -32.1 68.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.316 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.66 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 62.0 mtp85 -62.45 -41.07 98.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.596 0.236 . . . . 0.0 111.038 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -62.91 -40.0 96.24 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.015 0.435 . . . . 0.0 110.599 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -68.47 -43.22 77.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.5 177.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.5 -28.54 63.53 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.778 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 104' ' ' ARG . 96.7 mt -68.53 -35.91 78.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.835 0.35 . . . . 0.0 110.628 176.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -85.75 -25.15 26.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.857 0.837 . . . . 0.0 110.329 -177.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -104.04 21.04 17.13 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.383 177.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -63.75 -31.28 72.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.174 -169.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 13.0 m170 58.4 79.42 0.21 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.843 0.354 . . . . 0.0 111.699 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -159.95 -69.45 0.07 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 174.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 65.0 t60 68.28 148.98 0.06 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.82 0.7 . . . . 0.0 110.419 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.572 -0.728 . . . . 0.0 110.692 178.093 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 120.887 0.375 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.416 ' HG3' ' H ' ' A' ' 3' ' ' ALA . 13.7 tp60 -136.17 -179.29 5.58 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -174.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.416 ' H ' ' HG3' ' A' ' 2' ' ' GLN . . . 69.48 149.11 0.07 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.945 0.879 . . . . 0.0 112.115 176.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.451 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 75.5 mt -70.45 -29.75 40.03 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.995 178.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 p -62.81 -40.01 96.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.106 -177.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.416 ' HA ' ' HG2' ' A' ' 9' ' ' GLU . 21.6 mt-10 -63.22 -45.77 90.08 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -68.41 -32.57 72.72 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.566 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.531 ' HA ' ' HE2' ' A' ' 11' ' ' MET . 84.5 mt -67.28 -49.93 62.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.769 177.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.431 ' HA ' HD21 ' A' ' 12' ' ' LEU . 10.1 pt-20 -66.11 -30.99 71.6 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 120.693 0.283 . . . . 0.0 110.914 -178.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.17 -35.1 71.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.876 0.369 . . . . 0.0 110.748 176.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.531 ' HE2' ' HA ' ' A' ' 8' ' ' LEU . 65.0 mtm -69.46 -35.77 75.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.587 177.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.431 HD21 ' HA ' ' A' ' 9' ' ' GLU . 4.2 mm? -59.56 -37.75 79.29 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.26 -26.22 66.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.081 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -81.81 -6.01 58.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.811 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.84 -8.01 61.2 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.703 -0.76 . . . . 0.0 113.936 172.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.2 t -80.94 68.85 7.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.413 1.101 . . . . 0.0 110.135 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -81.07 108.43 14.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.204 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.489 HD22 HD23 ' A' ' 21' ' ' LEU . 10.4 p30 -125.63 174.26 8.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.193 0.52 . . . . 0.0 110.533 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.588 ' CE ' ' HB2' ' A' ' 49' ' ' ASP . 17.7 ttt -91.43 -25.36 19.37 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.026 -173.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.5 mt -82.66 -19.06 38.91 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -166.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.489 HD23 HD22 ' A' ' 18' ' ' ASN . 2.9 pp -79.85 -7.11 58.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.811 -0.555 . . . . 0.0 112.016 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 22' ' ' ARG . 57.8 mtt-85 -74.82 -38.13 62.14 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -172.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -69.72 -30.83 68.54 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.993 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.2 m -63.44 -35.97 82.18 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.67 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.19 -44.12 92.21 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.341 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.509 ' HA3' HD23 ' A' ' 42' ' ' LEU . . . -60.48 -36.46 91.32 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.487 -179.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -59.69 -38.77 82.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.75 0.309 . . . . 0.0 110.893 178.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.8 m -69.3 -36.22 76.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.886 0.374 . . . . 0.0 110.735 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -68.34 -41.09 81.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.278 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.39 -45.43 72.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.194 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -62.58 -32.47 73.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.044 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.7 12.71 24.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.2 -178.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 61.56 39.02 15.17 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.221 0.609 . . . . 0.0 112.328 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -111.84 46.29 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -53.14 -43.9 67.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.335 -174.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -55.5 -44.21 76.37 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.192 0.52 . . . . 0.0 111.32 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.54 -27.99 61.64 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.928 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.97 -37.95 79.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.521 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.3 mt -51.84 -54.37 41.0 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -174.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.23 -32.33 27.08 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 121.68 1.587 . . . . 0.0 112.349 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -71.64 -38.4 70.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.412 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.509 HD23 ' HA3' ' A' ' 26' ' ' GLY . 71.8 mt -71.12 -35.19 71.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.293 175.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -64.15 -31.54 72.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.98 177.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.05 85.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.673 174.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.79 -39.08 76.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.019 0.438 . . . . 0.0 110.155 175.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.85 -23.89 67.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.728 176.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -67.86 -29.97 69.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.128 0.489 . . . . 0.0 109.946 177.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -81.35 -43.54 18.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.756 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.588 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 13.2 t70 -122.85 139.59 31.62 Favored Pre-proline 0 C--N 1.329 -0.299 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.326 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 49' ' ' ASP . 4.8 Cg_exo -79.18 -22.03 8.75 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.764 2.309 . . . . 0.0 113.412 -176.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.697 ' OG1' ' HA ' ' A' ' 82' ' ' ALA . 4.1 t -158.17 83.41 0.85 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.908 0.861 . . . . 0.0 111.537 -172.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.461 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 45.6 t80 -109.82 121.45 45.26 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.608 178.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.469 ' HB3' ' HA ' ' A' ' 83' ' ' ALA . 3.4 p -52.69 -51.99 57.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.69 -173.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.461 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 50.9 t -64.3 -40.27 88.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.459 -176.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.71 -48.21 75.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.357 -175.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -67.34 -34.76 78.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.206 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.647 ' HA ' HD23 ' A' ' 95' ' ' LEU . 79.6 tttt -61.79 -43.41 98.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.688 176.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 62.9 m95 -73.68 -33.03 64.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.073 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.54 -42.76 79.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.953 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.401 ' HA2' ' HB2' ' A' ' 75' ' ' ALA . . . -59.29 -44.66 96.35 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 121.16 -0.543 . . . . 0.0 112.204 176.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt -63.68 -36.36 83.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.055 0.455 . . . . 0.0 110.914 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.8 m -68.52 -44.57 74.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.109 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 75' ' ' ALA . 38.2 mt -69.14 -30.88 69.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.684 0.278 . . . . 0.0 111.012 177.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -61.13 -46.4 90.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.027 174.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.66 -27.08 73.01 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.49 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -62.71 -33.85 75.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.018 0.437 . . . . 0.0 110.002 176.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.5 16.96 14.43 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.899 176.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -114.33 100.66 8.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.029 0.442 . . . . 0.0 110.305 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.98 -28.8 69.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.479 -176.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.34 -49.53 63.68 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.573 0.225 . . . . 0.0 110.523 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.6 -36.66 92.97 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.772 175.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.92 -45.3 93.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.43 0.157 . . . . 0.0 110.672 177.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -59.56 -48.09 82.99 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -55.71 -50.77 69.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.293 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.548 ' HB3' HD13 ' A' ' 63' ' ' LEU . . . -62.14 -45.94 91.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.018 -175.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.418 ' HE3' HD22 ' A' ' 102' ' ' LEU . 9.3 m0 -71.02 -39.84 72.12 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -176.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -64.99 -41.77 95.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.142 0.496 . . . . 0.0 110.551 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -73.64 -36.78 65.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.412 -178.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.52 -21.05 70.41 Favored Glycine 0 C--N 1.332 0.308 0 CA-C-N 115.839 -0.619 . . . . 0.0 113.753 -175.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.3 tp -58.08 -43.7 87.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.325 0.583 . . . . 0.0 110.005 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.56 -30.71 68.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.615 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.697 ' HA ' ' OG1' ' A' ' 51' ' ' THR . . . -67.19 -39.88 86.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.275 0.559 . . . . 0.0 110.367 178.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.469 ' HA ' ' HB3' ' A' ' 53' ' ' SER . . . -71.81 -37.01 70.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.474 177.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -66.78 -42.61 85.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.188 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.5 t -64.7 -36.9 85.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.512 ' HA ' ' HE ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -79.28 -9.5 59.59 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.183 177.401 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.51 33.78 87.46 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.852 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.46 ' O ' HG21 ' A' ' 92' ' ' VAL . 4.8 t70 -105.55 85.53 2.26 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.341 0.591 . . . . 0.0 110.254 -176.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -54.54 -33.06 59.42 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.556 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.615 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 7.2 tt0 -56.83 -48.44 78.01 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.143 -0.223 . . . . 0.0 110.484 176.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.401 HG22 ' OD1' ' A' ' 88' ' ' ASP . 52.7 t -68.65 -36.9 76.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.419 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' ' 88' ' ' ASP . 62.1 t -57.46 -50.63 76.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.354 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.484 ' O ' HG23 ' A' ' 97' ' ' VAL . 68.7 mttm -66.29 -37.51 85.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.788 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.615 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 52.9 mt-10 -60.95 -49.13 78.7 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.985 0.421 . . . . 0.0 110.539 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.647 HD23 ' HA ' ' A' ' 57' ' ' LYS . 75.2 mt -67.34 -32.69 73.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.685 178.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -59.15 -43.32 92.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.354 176.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 93' ' ' LYS . 97.9 t -62.59 -41.14 90.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -62.94 -37.02 85.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.965 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.3 -37.26 82.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.974 0.416 . . . . 0.0 110.993 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -73.72 -43.4 59.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.446 0.641 . . . . 0.0 109.818 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -56.59 -45.58 81.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.055 175.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.418 HD22 ' HE3' ' A' ' 76' ' ' TRP . 54.3 tp -67.57 -35.13 78.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.361 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.27 -32.52 62.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.58 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -56.59 -45.74 81.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.216 0.532 . . . . 0.0 110.403 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -72.51 -39.24 67.77 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.277 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.468 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 26.4 t70 -71.53 -47.69 53.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.49 -177.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.545 ' O ' ' HB2' ' A' ' 113' ' ' HIS . . . -63.1 -40.7 98.41 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.655 -178.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 82.6 mt -82.17 -53.42 6.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 106' ' ' ASP . 54.5 mt-10 57.33 30.26 18.21 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.438 0.637 . . . . 0.0 109.617 -171.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 63.7 t60 65.79 14.74 9.72 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.884 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -145.19 -96.58 0.1 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 176.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -152.76 22.25 0.6 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.545 ' HB2' ' O ' ' A' ' 107' ' ' ALA . 47.4 t-80 62.6 105.79 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.791 -173.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -83.23 126.7 32.93 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.166 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 . . . . . 0 C--O 1.251 1.16 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.912 -175.688 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 120.753 0.311 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -72.41 148.08 45.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.352 0.596 . . . . 0.0 110.393 -178.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.404 ' HB1' ' HG2' ' A' ' 6' ' ' GLU . . . -84.0 80.93 9.0 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.943 -177.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.444 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 63.7 mt -64.55 -34.57 70.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.261 -178.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.4 p -56.98 -41.59 78.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.726 -177.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' HG2' ' HB1' ' A' ' 3' ' ' ALA . 4.8 mm-40 -66.9 -41.89 86.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.424 -173.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -74.05 -32.53 63.35 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.219 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 86.3 mt -64.7 -52.8 55.25 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.182 -0.207 . . . . 0.0 111.452 -178.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.25 -32.36 73.98 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 111.079 -177.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.28 99.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.187 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.47 ' HE2' HD21 ' A' ' 21' ' ' LEU . 73.4 mtm -63.77 -45.23 90.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.464 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.83 ' HG ' ' HA ' ' A' ' 17' ' ' ASP . 9.6 mp -59.54 -38.72 81.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.973 0.416 . . . . 0.0 110.595 178.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.6 -18.84 62.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.535 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -94.16 2.4 55.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.986 0.422 . . . . 0.0 111.298 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.33 4.36 50.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.413 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -99.77 55.47 0.95 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.764 0.792 . . . . 0.0 109.183 176.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.83 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 16.8 t70 -71.76 -70.37 0.33 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.56 -174.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.442 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 48.3 m-80 67.36 173.28 0.26 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.267 0.556 . . . . 0.0 111.788 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.699 ' HE1' ' HB3' ' A' ' 49' ' ' ASP . 1.8 tmt? -93.73 -49.98 5.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.069 178.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.84 -33.96 76.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.591 -176.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.47 HD21 ' HE2' ' A' ' 11' ' ' MET . 12.6 tp -71.86 -32.14 67.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.512 -177.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.561 HH11 ' HB2' ' A' ' 44' ' ' ALA . 95.3 mtt180 -61.82 -43.94 97.84 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.145 0.498 . . . . 0.0 110.126 174.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -64.97 -36.78 85.51 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.807 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.2 m -58.43 -35.61 72.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.797 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.9 mt -69.94 -45.54 67.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.814 175.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.94 -47.29 91.97 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 121.077 -0.582 . . . . 0.0 113.049 -175.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -64.62 -36.77 85.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.749 0.309 . . . . 0.0 111.011 -178.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.1 m -69.48 -40.67 76.92 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.87 0.367 . . . . 0.0 111.132 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -62.5 -40.12 95.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.677 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.72 -35.45 79.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.157 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.57 -23.55 66.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -101.98 13.42 34.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 67.58 15.11 9.73 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.726 0.774 . . . . 0.0 110.692 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -89.72 45.64 1.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.918 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.554 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 88.4 m-85 -55.61 -31.28 62.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.335 -176.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -60.68 -46.97 88.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.657 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.6 -27.95 60.69 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.105 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.61 74.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.415 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 35' ' ' PHE . 48.0 mt -49.81 -54.34 33.03 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -174.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -63.08 -40.21 35.04 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 121.837 1.691 . . . . 0.0 112.392 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -71.44 -38.49 71.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.069 -177.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.6 tp -71.11 -42.31 69.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.095 0.474 . . . . 0.0 110.27 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -62.77 -43.97 97.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.487 -178.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.561 ' HB2' HH11 ' A' ' 22' ' ' ARG . . . -64.3 -33.0 74.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.693 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.32 -47.67 63.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.059 0.457 . . . . 0.0 110.793 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 55' ' ' ALA . 66.4 mt -69.53 -25.21 63.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.673 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.89 -42.08 79.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.267 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -82.33 -43.62 17.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.629 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.699 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 11.2 t70 -135.08 88.81 25.52 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 120.889 0.375 . . . . 0.0 111.04 -178.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.21 -4.1 14.58 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.714 2.276 . . . . 0.0 112.416 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.8 p -96.0 23.25 6.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.025 -176.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.466 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 18.2 t80 -86.36 98.27 10.89 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 177.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.626 ' HA ' ' CE3' ' A' ' 56' ' ' TRP . 12.9 m -48.98 -43.73 40.29 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -173.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.466 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 41.3 t -61.72 -36.29 72.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.912 0.387 . . . . 0.0 110.833 -177.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.487 ' HB3' HD22 ' A' ' 46' ' ' LEU . . . -70.17 -28.95 65.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.549 -176.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.631 ' HZ3' ' HA ' ' A' ' 83' ' ' ALA . 31.2 m0 -58.55 -47.97 82.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.06 0.457 . . . . 0.0 110.324 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.624 ' HD2' ' HE2' ' A' ' 98' ' ' PHE . 6.8 ttpm? -67.21 -34.82 78.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.215 178.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -66.14 -33.06 74.93 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.307 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.431 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 71.3 mt -55.27 -51.71 65.76 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.076 0.235 . . . . 0.0 111.253 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.431 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -61.56 -40.4 98.66 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.443 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -69.51 -40.95 76.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.618 0.247 . . . . 0.0 111.181 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.554 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 23.6 m -67.73 -42.24 82.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.787 -179.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 59' ' ' LEU . 82.4 mt -67.38 -34.94 78.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.446 177.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -64.96 -42.47 94.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.401 176.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.89 -35.11 85.77 Favored Glycine 0 C--O 1.228 -0.266 0 C-N-CA 121.066 -0.587 . . . . 0.0 111.998 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -49.48 66.16 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 173.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.32 9.56 2.07 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.309 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -82.98 86.63 6.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.565 0.222 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.633 ' HD3' ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -65.39 -37.22 86.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.673 176.744 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.633 ' N ' ' HD3' ' A' ' 69' ' ' ARG . . . -69.16 -47.64 64.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.517 177.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.99 -43.34 99.31 Favored Glycine 0 C--N 1.33 0.229 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.866 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.59 -47.35 82.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.792 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.633 ' HG3' HD11 ' A' ' 99' ' ' LEU . 78.6 ttt180 -62.7 -45.57 92.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.678 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -57.32 -46.15 83.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.913 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.21 98.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.551 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.431 ' NE1' ' HA3' ' A' ' 60' ' ' GLY . 27.0 m0 -71.89 -43.51 65.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.334 -176.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -67.32 -42.96 82.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.72 0.295 . . . . 0.0 111.256 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.4 t -73.47 -39.03 65.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -177.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.99 -14.46 76.07 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.706 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.1 tp -60.92 -49.12 78.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.165 0.507 . . . . 0.0 110.481 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.94 -32.64 73.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.211 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.92 -45.89 83.96 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.631 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -65.28 -40.13 93.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.752 178.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.759 HE21 HG22 ' A' ' 92' ' ' VAL . 18.4 mm-40 -58.95 -47.29 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 174.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.7 t -58.25 -41.55 84.49 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.806 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.42 ' HD2' ' HH2' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -77.58 -14.69 59.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.46 22.81 66.56 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.949 -176.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.518 ' O ' HG23 ' A' ' 92' ' ' VAL . 3.6 m-20 -82.98 81.58 8.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.343 0.592 . . . . 0.0 110.372 -178.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -56.92 -43.79 81.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.995 -1.002 . . . . 0.0 112.318 -177.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -62.17 -45.11 94.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.739 0.304 . . . . 0.0 110.269 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.3 t -65.89 -39.96 86.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.872 -175.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.759 HG22 HE21 ' A' ' 84' ' ' GLN . 98.1 t -58.67 -51.78 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.094 0.473 . . . . 0.0 110.27 177.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.547 ' O ' HG21 ' A' ' 97' ' ' VAL . 56.9 mtmt -67.57 -36.56 81.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.57 -176.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -58.8 -49.24 78.43 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 121.129 0.49 . . . . 0.0 110.434 175.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 57' ' ' LYS . 83.8 mt -61.64 -44.68 96.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.245 -178.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.531 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 98.4 mt-30 -56.96 -41.56 78.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.547 HG21 ' O ' ' A' ' 93' ' ' LYS . 79.8 t -61.13 -51.23 75.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.522 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.624 ' HE2' ' HD2' ' A' ' 57' ' ' LYS . 61.4 m-85 -65.62 -36.4 83.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.743 0.306 . . . . 0.0 111.283 -175.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.633 HD11 ' HG3' ' A' ' 73' ' ' ARG . 42.2 tp -59.15 -40.48 85.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.31 -178.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 7.4 mtp180 -75.93 -43.8 43.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.247 0.546 . . . . 0.0 110.365 -177.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -56.62 -37.89 71.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.01 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 63.5 tp -66.88 -42.7 85.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.996 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.99 -32.58 69.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.626 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -60.21 -47.29 86.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.971 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -73.37 -35.27 65.92 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.701 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.56 -47.47 54.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.896 0.379 . . . . 0.0 111.372 -177.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.42 -42.03 90.89 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.18 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 92.7 mt -80.81 -18.25 48.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.757 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 63.45 32.69 14.21 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.446 0.698 . . . . 0.0 110.106 -177.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 65.0 t60 56.12 25.71 9.34 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.296 -177.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -81.7 46.17 0.95 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.546 0.688 . . . . 0.0 111.13 -175.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -89.34 -12.23 41.06 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.706 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -92.31 119.74 32.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.94 -175.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.407 ' O ' ' HB3' ' A' ' 115' ' ' HIS . 9.9 t60 -111.88 -29.57 7.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.837 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.407 ' HB3' ' O ' ' A' ' 114' ' ' HIS . 67.8 t60 . . . . . 0 C--O 1.249 1.066 0 O-C-N 123.863 0.727 . . . . 0.0 109.382 -171.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.4 mtt . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -93.87 147.65 22.88 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 120.596 0.236 . . . . 0.0 110.764 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 64.75 160.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 122.076 0.941 . . . . 0.0 111.965 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.426 HG22 ' CG2' ' A' ' 24' ' ' THR . 41.2 mm -71.71 -34.68 52.83 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.956 -173.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.404 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 28.3 m -62.22 -53.19 58.82 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -171.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.03 -41.48 96.65 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -175.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 7' ' ' ARG . 11.3 ptm85 -73.08 -32.03 64.75 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.536 -176.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.4 mt -67.92 -38.22 82.64 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.702 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 5' ' ' THR . 39.9 mt-10 -60.2 -30.3 69.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.467 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.94 -30.78 68.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.063 0.459 . . . . 0.0 110.767 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 63.4 mtt -75.39 -31.6 60.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.264 0.554 . . . . 0.0 109.904 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.05 -28.36 68.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.454 177.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.58 -19.44 65.92 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.664 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -95.96 -6.73 38.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.473 175.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.51 42.91 79.76 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.407 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.8 m -149.79 99.12 2.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.075 0.464 . . . . 0.0 111.329 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -127.56 175.36 8.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.834 174.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.64 177.18 7.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.865 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -62.01 -42.6 99.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.556 -176.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tt -55.29 -43.44 74.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.14 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.14 -43.92 93.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.686 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.428 ' HA ' ' HD3' ' A' ' 22' ' ' ARG . 20.4 mmt180 -58.91 -44.51 91.28 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.78 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -65.94 -44.52 84.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.522 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.426 ' CG2' HG22 ' A' ' 4' ' ' ILE . 29.3 m -62.92 -37.66 87.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.086 -178.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.3 mt -60.86 -49.66 76.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.55 177.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.7 -38.91 96.23 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.689 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -56.74 -42.03 78.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.044 0.45 . . . . 0.0 110.306 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.4 m -66.75 -41.73 87.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.124 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -65.08 -41.28 95.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.653 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.31 83.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.033 0.444 . . . . 0.0 110.592 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.06 -22.34 61.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.392 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -87.08 3.56 45.68 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 67.06 21.07 10.28 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.764 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -104.54 73.64 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 175.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -65.65 -34.84 79.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.866 -174.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -56.72 -45.27 81.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.346 0.594 . . . . 0.0 111.183 -176.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.11 -26.87 61.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.023 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.74 -37.69 85.15 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.362 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mp -49.62 -55.22 24.19 Favored Pre-proline 0 N--CA 1.474 0.769 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -172.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -63.63 -36.4 53.09 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.631 1.554 . . . . 0.0 112.34 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -71.7 -41.57 68.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.041 -176.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.437 ' HB3' HD22 ' A' ' 59' ' ' LEU . 95.9 mt -69.4 -38.02 77.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.745 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -62.68 -40.33 96.78 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.67 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.68 88.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.211 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.17 -47.61 64.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.061 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.452 HD22 ' HB1' ' A' ' 55' ' ' ALA . 66.7 mt -64.36 -25.36 68.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.374 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -60.06 -36.44 77.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.502 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -76.32 -44.48 36.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.333 178.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -145.4 88.62 6.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.979 0.419 . . . . 0.0 111.335 -172.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -69.35 -7.96 22.32 Favored 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 123.169 2.579 . . . . 0.0 113.621 -175.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.416 ' HA ' ' HZ2' ' A' ' 56' ' ' TRP . 10.9 t -91.32 19.21 6.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.118 0.485 . . . . 0.0 111.321 -177.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -76.96 87.95 3.5 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.562 ' HB3' HG22 ' A' ' 91' ' ' VAL . 16.9 m -50.07 -40.22 44.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.682 -175.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.425 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 43.3 t -59.41 -37.9 72.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.99 0.424 . . . . 0.0 111.068 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.452 ' HB1' HD22 ' A' ' 46' ' ' LEU . . . -72.13 -31.05 65.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.752 -174.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.501 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 37.6 m0 -56.74 -48.24 78.23 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.254 0.55 . . . . 0.0 110.495 -177.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.687 ' HA ' HD21 ' A' ' 95' ' ' LEU . 16.8 ttpt -66.17 -38.74 88.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.609 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.425 ' HD1' ' O ' ' A' ' 54' ' ' VAL . 73.8 m95 -75.28 -41.81 56.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.437 HD22 ' HB3' ' A' ' 42' ' ' LEU . 3.4 mm? -56.97 -47.51 80.56 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.963 0.411 . . . . 0.0 111.079 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.04 -40.59 97.24 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.396 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -71.08 -26.22 62.96 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 121.185 0.517 . . . . 0.0 110.471 -179.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.2 m -70.47 -32.93 70.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.126 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.593 ' HA ' HE21 ' A' ' 66' ' ' GLN . 85.2 mt -69.27 -38.07 78.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.11 0.481 . . . . 0.0 109.803 174.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -56.93 -43.2 81.22 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.663 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.2 -11.35 55.37 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.689 -0.687 . . . . 0.0 113.38 -177.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.593 HE21 ' HA ' ' A' ' 63' ' ' LEU . 49.9 mt-30 -91.61 -7.51 49.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.838 0.351 . . . . 0.0 110.942 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.36 -17.3 51.43 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.311 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -87.77 80.17 7.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.464 0.65 . . . . 0.0 110.477 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.53 ' HB2' HD11 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -67.21 -29.41 69.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.681 179.756 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.25 -46.68 72.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 110.817 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.05 -31.2 77.19 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.415 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.01 -51.03 66.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.591 -0.305 . . . . 0.0 111.255 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.559 ' HD3' HD13 ' A' ' 102' ' ' LEU . 48.1 ptt85 -67.16 -33.63 75.82 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.029 -178.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -61.64 -39.8 92.62 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.012 0.435 . . . . 0.0 110.324 175.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.77 91.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.5 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.491 ' CD1' HD23 ' A' ' 95' ' ' LEU . 19.4 m0 -67.28 -36.23 81.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.579 178.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -59.43 -43.59 93.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.014 174.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.4 m -73.28 -39.16 65.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.18 -27.72 73.55 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.1 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.54 -52.17 66.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.227 0.537 . . . . 0.0 110.114 177.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.29 -32.16 72.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.026 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.52 -48.25 78.31 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.421 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -62.47 -43.53 98.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.725 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.814 HE21 HG23 ' A' ' 92' ' ' VAL . 24.1 mm-40 -58.6 -48.32 81.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.083 176.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.2 t -64.47 -39.34 93.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.413 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.41 ' HD2' ' HA ' ' A' ' 86' ' ' ARG . 22.8 mmm180 -84.23 -13.58 52.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.969 0.414 . . . . 0.0 111.039 -175.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.85 36.2 8.63 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.096 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -114.23 91.55 3.67 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.194 0.521 . . . . 0.0 109.668 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -65.28 -37.52 87.42 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.17 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.499 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 48.5 tt0 -56.39 -47.51 78.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.111 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.562 HG22 ' HB3' ' A' ' 53' ' ' SER . 60.2 t -60.68 -39.35 81.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.956 0.408 . . . . 0.0 110.103 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.814 HG23 HE21 ' A' ' 84' ' ' GLN . 89.3 t -58.73 -49.99 80.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.373 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -66.69 -36.51 82.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.466 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 40.9 mt-10 -61.91 -49.37 76.47 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.007 0.432 . . . . 0.0 110.192 176.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.687 HD21 ' HA ' ' A' ' 57' ' ' LYS . 75.9 mt -66.36 -32.79 74.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.079 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.598 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 76.2 mm-40 -56.36 -36.92 69.36 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.693 -0.23 . . . . 0.0 110.745 176.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.24 -45.31 98.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.935 0.398 . . . . 0.0 110.296 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -64.69 -35.84 82.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.62 178.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.8 -37.9 83.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.516 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.598 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 7.1 mmp_? -69.88 -49.43 52.31 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.496 0.665 . . . . 0.0 109.718 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -56.84 -46.5 81.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.072 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.559 HD13 ' HD3' ' A' ' 73' ' ' ARG . 0.3 OUTLIER -67.6 -38.84 84.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.682 -178.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.0 83.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.739 -177.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -65.19 -31.93 73.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.663 0.268 . . . . 0.0 110.914 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -70.0 -47.0 63.91 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.103 0.478 . . . . 0.0 110.62 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -71.49 -34.53 70.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.482 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.9 -26.89 49.52 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.358 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.49 -22.04 63.09 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -91.56 -0.6 57.61 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.953 0.406 . . . . 0.0 110.886 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 15.9 t60 49.17 52.75 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.888 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -56.89 -29.62 63.17 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.671 -175.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -84.76 48.37 1.53 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.702 0.763 . . . . 0.0 110.148 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 25.5 p80 -87.92 -8.58 55.55 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.757 175.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -104.99 98.2 7.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.683 -178.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.784 -179.359 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 121.058 0.456 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.4 161.24 14.31 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.967 175.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -109.8 88.64 2.8 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.404 0.621 . . . . 0.0 110.52 177.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.469 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 60.5 mt -63.92 -22.99 32.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.78 176.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.432 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 16.2 p -59.73 -39.1 83.6 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.234 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.36 -42.17 95.21 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -176.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 4' ' ' ILE . 19.1 ptp180 -73.56 -32.7 64.31 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.589 178.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 96.7 mt -65.67 -48.06 73.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.477 177.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 5' ' ' THR . 9.5 mm-40 -53.07 -37.1 61.35 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.706 178.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.41 -49.75 72.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.084 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 72.3 mtm -62.15 -31.83 72.37 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.779 0.323 . . . . 0.0 111.446 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.652 ' HG ' ' HB2' ' A' ' 17' ' ' ASP . 10.0 mp -63.16 -33.63 75.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.709 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.01 -22.41 64.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.668 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -77.46 -2.22 34.25 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.815 0.34 . . . . 0.0 110.76 176.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.7 10.49 52.88 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.348 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -95.41 39.64 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.708 0.766 . . . . 0.0 110.426 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.652 ' HB2' ' HG ' ' A' ' 12' ' ' LEU . 10.7 t0 -109.35 114.34 27.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.274 178.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -114.95 -68.2 0.94 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.146 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -170.78 -44.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.723 HD23 ' HE2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -59.65 -45.88 90.68 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.243 -174.489 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.426 ' N ' HD13 ' A' ' 21' ' ' LEU . 6.1 mp -73.68 -22.42 59.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.066 0.46 . . . . 0.0 110.592 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.44 ' HD3' ' OD1' ' A' ' 17' ' ' ASP . 20.5 ttp180 -77.57 -45.57 24.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.771 -170.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.723 ' HE2' HD23 ' A' ' 20' ' ' LEU . 25.5 p90 -70.2 -31.66 69.21 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.075 177.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.5 m -58.08 -35.51 71.5 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.755 177.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.7 mt -61.88 -49.48 76.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.318 175.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.589 ' HA3' ' HG ' ' A' ' 42' ' ' LEU . . . -59.5 -42.12 97.48 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.321 -178.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -56.59 -48.91 76.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.074 0.464 . . . . 0.0 110.567 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 14.9 m -69.36 -40.34 77.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.593 -175.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -62.97 -41.5 99.56 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 121.178 -0.209 . . . . 0.0 110.843 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.28 -45.35 84.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.167 0.508 . . . . 0.0 110.579 -178.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -67.92 -22.47 65.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.979 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 28' ' ' THR . 0.7 OUTLIER -92.5 10.94 28.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.901 -177.489 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 67.32 26.06 8.6 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.769 0.795 . . . . 0.0 110.68 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -110.0 46.1 1.05 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 175.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -50.33 -43.25 53.89 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.649 -172.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.7 -38.26 90.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.138 0.494 . . . . 0.0 110.837 -176.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.29 -27.71 61.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.968 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.65 -37.99 80.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.406 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.698 HD11 ' HG3' ' A' ' 66' ' ' GLN . 98.3 mt -51.96 -53.65 49.21 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 -172.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 14.7 Cg_endo -58.44 -42.16 58.02 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 122.097 1.865 . . . . 0.0 112.738 -179.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -68.48 -42.33 78.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.578 0.228 . . . . 0.0 111.013 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.589 ' HG ' ' HA3' ' A' ' 26' ' ' GLY . 81.2 mt -66.61 -42.25 87.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.55 178.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 43' ' ' ARG . 19.9 ttt180 -65.23 -41.99 93.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.415 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.63 -32.8 74.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.901 0.381 . . . . 0.0 110.946 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.38 -47.42 82.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.851 0.357 . . . . 0.0 110.46 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' A' ' 55' ' ' ALA . 82.7 mt -71.27 -25.51 62.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.772 178.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.33 -38.62 84.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.15 0.5 . . . . 0.0 110.446 176.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.426 ' HB2' ' NH2' ' A' ' 22' ' ' ARG . 75.7 t80 -80.79 -44.0 19.24 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.885 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -145.7 89.67 6.13 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 120.885 0.374 . . . . 0.0 110.299 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -66.66 -5.2 12.49 Favored 'Trans proline' 0 N--CA 1.472 0.255 0 C-N-CA 123.252 2.634 . . . . 0.0 113.547 -173.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.5 m -98.95 55.36 1.02 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.329 0.585 . . . . 0.0 110.693 -177.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.416 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 11.0 t80 -121.93 90.58 3.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.541 173.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.579 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 3.0 m -50.55 -34.36 25.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.849 -1.069 . . . . 0.0 113.403 -173.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.416 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 42.3 t -62.6 -38.71 82.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.881 0.372 . . . . 0.0 110.935 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.455 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -72.78 -28.26 62.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.753 -175.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.579 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 39.9 m0 -59.97 -49.85 76.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.959 0.409 . . . . 0.0 110.559 -177.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.447 ' HB3' HD23 ' A' ' 95' ' ' LEU . 9.9 pttp -67.78 -33.03 74.03 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 178.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.68 ' CE3' ' HD3' ' A' ' 61' ' ' LYS . 41.1 m95 -58.38 -45.83 87.54 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 110.681 -0.118 . . . . 0.0 110.681 176.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.1 mt -55.61 -49.75 71.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.416 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.03 -47.61 89.93 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 121.158 -0.544 . . . . 0.0 113.166 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.68 ' HD3' ' CE3' ' A' ' 58' ' ' TRP . 14.7 ptmm? -69.95 -24.79 63.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.89 0.376 . . . . 0.0 110.606 -177.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.2 m -74.91 -37.83 61.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.125 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.72 -31.28 72.19 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -178.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -62.13 -47.68 83.5 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.16 -16.04 79.28 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.128 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.698 ' HG3' HD11 ' A' ' 39' ' ' LEU . 26.0 tm0? -71.91 -26.86 62.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.76 -20.88 5.1 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.418 176.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -97.25 83.68 3.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.283 0.563 . . . . 0.0 110.418 -175.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -65.33 -41.28 94.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.467 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.39 -36.69 79.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.849 0.357 . . . . 0.0 110.568 176.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.86 -36.08 91.68 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.106 177.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.11 -49.19 77.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 110.418 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 54.0 ttp85 -57.9 -48.27 80.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.446 177.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -60.64 -38.99 86.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.251 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.83 95.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.561 ' CD1' HD22 ' A' ' 95' ' ' LEU . 13.3 m0 -66.62 -35.95 81.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.514 178.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 73' ' ' ARG . 46.3 mt-10 -61.01 -42.17 97.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.15 0.5 . . . . 0.0 110.119 176.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.6 t -68.35 -46.28 70.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.564 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.39 -28.26 73.63 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.387 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.425 HD12 HG12 ' A' ' 92' ' ' VAL . 12.9 tp -62.1 -53.47 54.99 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 120.668 0.271 . . . . 0.0 110.277 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.07 -33.16 71.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.913 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.24 -43.49 91.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.158 0.504 . . . . 0.0 109.9 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.561 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -69.27 -38.56 78.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.657 178.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.477 HE21 ' HA ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -61.9 -45.73 92.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.512 177.089 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 t -61.52 -39.84 92.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.041 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.468 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 0.1 OUTLIER -76.64 -15.18 59.88 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.37 179.618 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.35 21.56 75.13 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.268 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.426 ' OD2' ' HB3' ' A' ' 86' ' ' ARG . 29.3 m-20 -85.61 80.03 9.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.284 0.564 . . . . 0.0 110.131 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -56.52 -39.59 73.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.388 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.441 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 43.7 tt0 -56.13 -47.02 78.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.077 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.535 HG23 ' HB3' ' A' ' 53' ' ' SER . 58.3 t -69.05 -37.66 77.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.074 -176.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.425 HG12 HD12 ' A' ' 80' ' ' LEU . 96.9 t -58.17 -48.71 83.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.276 176.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.435 ' O ' HG23 ' A' ' 97' ' ' VAL . 74.9 mmtt -61.8 -42.23 98.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.36 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 45.8 mt-10 -58.84 -48.32 81.76 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.876 0.369 . . . . 0.0 110.69 177.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.561 HD22 ' CD1' ' A' ' 76' ' ' TRP . 81.3 mt -66.74 -37.18 84.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.396 -178.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.668 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 13.9 mm100 -57.16 -39.92 76.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.2 178.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 93' ' ' LYS . 74.1 t -60.77 -46.68 95.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 120.666 0.269 . . . . 0.0 110.655 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -66.06 -41.95 90.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.004 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.435 HD23 ' HB2' ' A' ' 76' ' ' TRP . 67.4 mt -59.22 -34.68 72.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.713 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.668 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 57.5 mtm180 -69.09 -47.56 64.91 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 121.763 0.792 . . . . 0.0 110.068 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -67.02 -37.27 83.83 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.306 -1.315 . . . . 0.0 111.145 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.4 ' O ' HD11 ' A' ' 102' ' ' LEU . 0.7 OUTLIER -64.81 -40.65 95.56 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.545 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.42 -31.89 68.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.974 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 57.9 mtp180 -67.09 -28.93 68.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -75.2 -40.8 58.98 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.048 0.452 . . . . 0.0 110.124 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -59.99 -43.54 95.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.099 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.501 ' HA ' ' CB ' ' A' ' 111' ' ' HIS . . . -57.9 -32.78 68.06 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.249 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.47 -35.17 78.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.916 0.389 . . . . 0.0 111.469 -178.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -105.59 -66.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.41 1.1 . . . . 0.0 111.118 -177.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -70.09 -23.31 63.03 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 113.365 -1.743 . . . . 0.0 112.297 -169.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.501 ' CB ' ' HA ' ' A' ' 107' ' ' ALA . 15.8 t-80 -106.06 2.85 27.57 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.112 0.482 . . . . 0.0 110.462 -178.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -87.85 -2.41 58.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.272 0.558 . . . . 0.0 109.888 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -64.69 119.61 10.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.413 175.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -74.43 142.92 44.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.099 176.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 31.0 t60 . . . . . 0 C--O 1.25 1.086 0 O-C-N 123.86 0.725 . . . . 0.0 109.94 -176.671 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.966 0.412 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -88.88 149.76 23.2 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.985 177.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.54 ' HB1' ' HG3' ' A' ' 6' ' ' GLU . . . -80.75 112.44 18.12 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 176.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.443 ' O ' HD22 ' A' ' 8' ' ' LEU . 50.3 mm -55.76 -34.62 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.99 -177.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -56.79 -42.65 79.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.859 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.54 ' HG3' ' HB1' ' A' ' 3' ' ' ALA . 57.5 mt-10 -57.14 -50.76 71.82 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -74.2 -32.8 63.2 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.038 -176.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.472 HD13 ' HB2' ' A' ' 21' ' ' LEU . 4.4 mm? -66.19 -45.47 80.72 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.006 175.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 5' ' ' THR . 47.1 mt-10 -64.62 -33.0 74.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.474 177.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.65 -49.61 62.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.357 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.483 ' HE2' HG23 ' A' ' 16' ' ' THR . 25.9 ptm -71.02 -26.09 62.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.963 0.411 . . . . 0.0 110.831 -178.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.9 tp -59.6 -38.26 80.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.652 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.09 -34.27 70.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.301 -0.863 . . . . 0.0 113.03 -173.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -88.29 14.53 9.27 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.696 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.47 50.24 2.41 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.997 175.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.5 ' O ' HD21 ' A' ' 21' ' ' LEU . 6.9 m -113.85 75.96 0.96 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 173.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -112.46 104.14 12.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.795 -171.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.568 ' OD1' ' HG ' ' A' ' 21' ' ' LEU . 31.3 p30 -148.38 174.08 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.705 178.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.507 ' HG3' ' HB3' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -77.61 -20.42 53.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.941 -177.112 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 tt -63.98 -57.05 10.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.475 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.568 ' HG ' ' OD1' ' A' ' 18' ' ' ASN . 3.0 pp -73.64 -21.85 60.16 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.449 -177.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 18' ' ' ASN . 70.0 mtt180 -70.48 -37.64 74.28 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.01 174.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -68.93 -46.51 68.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.074 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.553 HG23 ' HA ' ' A' ' 21' ' ' LEU . 13.0 t -60.45 -34.19 73.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.657 0.265 . . . . 0.0 111.026 -177.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.9 mt -71.11 -46.78 61.04 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.47 ' HA2' ' CD2' ' A' ' 29' ' ' TYR . . . -61.75 -42.1 99.7 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.61 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -58.79 -38.67 79.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.705 0.288 . . . . 0.0 110.683 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.1 m -65.48 -35.28 80.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.685 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.599 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 18.9 m-85 -67.95 -42.47 80.9 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 175.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.88 -38.8 89.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.879 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.9 -23.64 66.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.078 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -101.32 14.75 30.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.954 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.41 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 29.9 tt0 65.53 22.53 11.8 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.689 176.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.599 ' HB2' ' HB3' ' A' ' 29' ' ' TYR . 47.9 mt-30 -87.57 45.82 1.31 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.302 0.573 . . . . 0.0 109.478 176.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 79.9 m-85 -59.97 -31.9 70.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.4 -172.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -59.74 -42.97 94.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.217 0.532 . . . . 0.0 110.427 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.68 -37.02 62.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.077 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.36 -38.47 71.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.095 -176.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.459 ' HB3' ' HD3' ' A' ' 40' ' ' PRO . 3.3 tt -50.52 -54.77 31.75 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -172.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.459 ' HD3' ' HB3' ' A' ' 39' ' ' LEU . 55.9 Cg_endo -71.14 -30.86 15.52 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 121.517 1.478 . . . . 0.0 112.173 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -71.58 -40.65 69.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.102 0.477 . . . . 0.0 110.29 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.5 mt -72.27 -40.61 67.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.924 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -58.6 -43.74 89.66 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.5 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.85 81.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.252 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.36 94.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.485 HD22 ' HB1' ' A' ' 55' ' ' ALA . 48.8 mt -68.72 -26.78 65.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.122 178.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.86 -36.92 70.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.151 0.5 . . . . 0.0 110.014 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -70.85 -44.51 66.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.337 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.507 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 10.5 t70 -149.07 88.85 5.01 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.938 0.399 . . . . 0.0 110.774 -176.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.07 -5.59 9.66 Favored 'Trans proline' 0 N--CA 1.474 0.334 0 C-N-CA 123.427 2.751 . . . . 0.0 113.686 -175.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.43 6.52 19.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.836 0.351 . . . . 0.0 111.916 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -83.51 81.87 8.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.946 0.403 . . . . 0.0 109.916 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.473 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 2.3 m -54.79 -38.27 67.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.28 -176.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.3 t -62.19 -35.59 69.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.109 0.48 . . . . 0.0 110.589 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.485 ' HB1' HD22 ' A' ' 46' ' ' LEU . . . -68.71 -30.07 68.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.467 -177.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.473 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 23.8 m0 -60.51 -47.09 87.68 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.813 0.816 . . . . 0.0 109.431 177.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.984 ' HA ' HD23 ' A' ' 95' ' ' LEU . 86.9 tttt -65.35 -43.16 91.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.326 -176.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.466 ' HA ' ' HD3' ' A' ' 61' ' ' LYS . 65.5 m95 -75.06 -28.9 60.56 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 55' ' ' ALA . 2.1 tm? -58.96 -50.96 72.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.327 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.33 -39.22 94.43 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.311 179.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 58' ' ' TRP . 27.5 mtpp -61.29 -36.18 79.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.143 0.497 . . . . 0.0 110.563 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.514 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 25.3 m -69.57 -40.13 76.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.834 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.454 HD23 HD12 ' A' ' 59' ' ' LEU . 3.4 mm? -62.08 -39.66 93.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.121 177.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -66.43 -37.08 84.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.08 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.04 -24.46 62.99 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.379 176.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -34.03 62.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.05 -26.16 4.79 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.64 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -88.96 96.59 10.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.453 0.644 . . . . 0.0 110.49 -176.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 69' ' ' ARG . 17.5 ptt-85 -65.33 -24.24 67.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.065 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.66 94.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.36 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.48 -33.64 63.94 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.443 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.57 -50.99 71.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.616 0.245 . . . . 0.0 110.79 177.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -65.78 -37.85 87.44 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.455 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -44.07 86.28 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.138 0.494 . . . . 0.0 109.847 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.36 89.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.256 178.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.598 ' CD1' HD22 ' A' ' 95' ' ' LEU . 14.5 m0 -65.89 -41.6 91.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.372 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.8 -37.16 85.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.777 0.323 . . . . 0.0 110.924 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.2 m -70.22 -46.73 63.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.406 177.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.09 -29.19 74.73 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.183 178.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 tp -61.22 -50.62 72.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.136 0.493 . . . . 0.0 109.727 176.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.38 -31.93 73.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.702 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.64 86.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.012 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.24 92.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.586 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -62.04 -44.12 97.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.934 175.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.6 t -61.6 -33.04 73.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.822 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.493 ' HA ' ' NE ' ' A' ' 86' ' ' ARG . 2.9 mmp_? -84.74 -15.26 45.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.786 0.326 . . . . 0.0 111.764 178.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.66 30.98 34.32 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.745 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -105.18 83.65 2.0 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.016 0.436 . . . . 0.0 111.064 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -59.2 -35.01 72.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.911 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.555 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 39.0 tt0 -56.18 -47.66 77.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 45.9 t -68.55 -37.96 78.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.14 -176.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.5 t -58.5 -45.12 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.429 177.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.405 ' O ' HG22 ' A' ' 97' ' ' VAL . 57.6 mtmt -66.91 -41.3 87.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.097 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 76.0 mt-10 -63.75 -49.4 73.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.866 0.365 . . . . 0.0 111.317 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.984 HD23 ' HA ' ' A' ' 57' ' ' LYS . 23.9 mt -67.25 -31.95 72.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.457 -178.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -60.04 -34.09 72.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.762 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.554 ' HA ' ' HG3' ' A' ' 100' ' ' ARG . 64.5 t -59.55 -39.46 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 120.791 0.329 . . . . 0.0 110.853 -177.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -64.76 -42.65 94.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.956 0.408 . . . . 0.0 109.919 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.06 -31.67 72.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.654 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.554 ' HG3' ' HA ' ' A' ' 97' ' ' VAL . 1.4 mtp180 -63.8 -47.79 79.47 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 120.999 0.428 . . . . 0.0 110.3 -179.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -72.97 -36.64 67.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.373 178.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.33 -45.01 88.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.972 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.37 -32.27 73.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.074 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 78.6 mtp180 -68.39 -47.03 68.41 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 177.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -62.91 -39.8 95.64 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.09 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -69.6 -46.25 66.71 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.919 0.39 . . . . 0.0 110.544 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.01 -40.27 73.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.735 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 104' ' ' ARG . 93.9 mt -58.89 -37.71 77.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.688 0.28 . . . . 0.0 111.441 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -101.06 3.3 41.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.998 0.428 . . . . 0.0 111.868 -176.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -120.44 -0.28 10.38 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.287 177.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -164.08 86.57 0.48 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.777 -171.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -94.14 -14.46 25.65 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 171.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -150.35 174.32 13.0 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 167.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -101.58 98.79 9.05 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 119.703 -0.799 . . . . 0.0 109.855 174.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 55.9 t60 . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.216 -0.897 . . . . 0.0 109.372 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.1 mtp . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 120.63 0.252 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.755 HE21 ' HA ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -165.88 153.06 10.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.788 0.328 . . . . 0.0 110.383 178.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.06 97.93 11.48 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.992 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.481 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 50.7 mm -56.81 -33.62 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.134 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.571 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -57.65 -36.04 71.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.076 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -66.6 -46.33 76.26 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -176.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -67.18 -31.59 72.09 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.009 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.615 ' O ' ' HG2' ' A' ' 11' ' ' MET . 96.2 mt -65.24 -41.57 94.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.465 175.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 5' ' ' THR . 50.6 mt-10 -62.15 -40.26 95.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.117 0.484 . . . . 0.0 110.544 175.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.66 -41.72 83.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.878 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.615 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 20.9 ptm -62.66 -25.77 68.31 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 111.512 0.189 . . . . 0.0 111.512 -176.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.402 HD13 HD22 ' A' ' 21' ' ' LEU . 8.6 mp -60.09 -44.48 94.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.92 0.39 . . . . 0.0 110.52 174.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.87 -6.9 54.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.049 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -92.49 3.66 55.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.53 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.17 58.82 2.39 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.851 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.0 m -153.24 103.51 2.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.771 0.32 . . . . 0.0 110.574 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -136.0 115.85 13.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.107 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.463 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 60.3 m-80 -132.81 165.26 24.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.351 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -63.96 -47.91 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 tp -60.83 -30.97 70.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.91 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.402 HD22 HD13 ' A' ' 12' ' ' LEU . 9.3 tt -66.52 -47.9 71.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.963 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 18' ' ' ASN . 41.4 mtt180 -63.02 -36.23 82.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.041 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -66.68 -40.41 88.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.386 175.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.6 m -60.57 -37.13 80.29 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.558 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.557 ' O ' ' HD2' ' A' ' 29' ' ' TYR . 90.0 mt -61.41 -50.04 74.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.211 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.43 -43.19 97.65 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.093 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -57.45 -49.27 76.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.938 0.399 . . . . 0.0 110.735 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.0 m -64.64 -42.08 95.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.39 -176.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.557 ' HD2' ' O ' ' A' ' 25' ' ' LEU . 42.0 m-85 -64.73 -40.09 94.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.726 177.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.17 -40.8 90.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.402 . . . . 0.0 110.839 -178.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -65.24 -25.99 67.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.873 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -92.41 10.42 30.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.46 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 68.72 16.54 8.95 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.548 0.689 . . . . 0.0 110.779 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -91.16 46.28 1.3 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.212 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -50.37 -45.11 54.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.419 -0.809 . . . . 0.0 112.636 -172.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -60.15 -45.39 93.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.144 0.497 . . . . 0.0 110.761 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.9 -27.47 64.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.399 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.04 -37.87 84.85 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.987 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.6 mt -51.86 -54.31 41.69 Favored Pre-proline 0 CA--C 1.541 0.599 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -173.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -62.86 -31.34 77.83 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 122.051 1.834 . . . . 0.0 112.34 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -71.97 -39.73 69.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.921 0.391 . . . . 0.0 110.399 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.2 mt -71.0 -42.06 70.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.387 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -64.67 -32.55 74.26 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.226 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.3 94.8 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.006 0.431 . . . . 0.0 110.51 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.424 ' HB3' ' HB2' ' A' ' 22' ' ' ARG . . . -68.43 -46.3 70.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.557 177.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.436 HD23 ' HB1' ' A' ' 55' ' ' ALA . 88.8 mt -66.87 -25.46 66.42 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.554 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -58.88 -45.92 89.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.114 0.483 . . . . 0.0 110.37 177.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -81.43 -44.46 17.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.189 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -139.02 88.19 13.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 121.198 0.523 . . . . 0.0 110.507 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.76 -2.96 12.23 Favored 'Trans proline' 0 CA--C 1.526 0.123 0 C-N-CA 123.106 2.538 . . . . 0.0 113.23 -177.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.61 15.74 2.01 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -170.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -92.64 96.69 10.34 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.004 -0.435 . . . . 0.0 110.496 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.807 ' HB3' HG23 ' A' ' 91' ' ' VAL . 15.5 m -55.59 -38.25 69.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.825 -174.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.3 t -58.15 -37.09 60.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 120.891 0.377 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.436 ' HB1' HD23 ' A' ' 46' ' ' LEU . . . -66.9 -28.99 68.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.04 -178.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.609 ' HH2' ' HG3' ' A' ' 86' ' ' ARG . 13.9 m0 -70.03 -44.74 68.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.392 0.615 . . . . 0.0 109.509 179.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.776 ' HA ' HD21 ' A' ' 95' ' ' LEU . 79.2 tttt -65.15 -39.1 92.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.966 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -74.74 -28.64 60.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.926 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -56.57 -50.75 71.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 110.482 -177.506 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.26 -41.07 99.66 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.033 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -61.51 -38.23 86.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.94 0.4 . . . . 0.0 111.366 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 49.9 m -64.55 -44.74 89.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.092 -178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.1 -33.72 73.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.109 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -40.27 85.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.343 . . . . 0.0 110.243 175.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.04 -37.98 94.87 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.954 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -68.21 -23.17 64.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.143 0.496 . . . . 0.0 110.331 177.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.84 26.25 8.6 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.894 -0.67 . . . . 0.0 113.441 172.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -113.29 101.31 9.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.452 0.644 . . . . 0.0 110.245 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -62.58 -45.92 90.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.754 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' A' ' 73' ' ' ARG . . . -62.64 -44.02 97.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 111.652 -177.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.55 -38.07 93.08 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.847 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.4 -47.63 81.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.536 0.208 . . . . 0.0 111.253 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.644 ' HB3' HD21 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -65.07 -43.22 92.93 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.558 -177.777 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -68.94 -33.58 73.95 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.497 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.407 ' HB2' HD12 ' A' ' 59' ' ' LEU . . . -64.04 -45.42 88.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.358 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 4.6 m0 -66.96 -41.77 86.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.447 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.95 -40.38 93.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.007 0.432 . . . . 0.0 110.406 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 m -71.36 -41.34 69.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.444 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.46 -33.15 83.88 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.177 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.76 -48.58 80.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.119 0.485 . . . . 0.0 109.742 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.85 -31.36 72.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.131 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.49 84.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.095 0.474 . . . . 0.0 110.003 175.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.591 ' HA ' ' CZ3' ' A' ' 56' ' ' TRP . . . -65.6 -40.73 92.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.831 177.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.26 -43.19 99.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.308 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.7 t -60.19 -40.19 89.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.731 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.716 ' HD2' ' HB2' ' A' ' 88' ' ' ASP . 2.0 tmt_? -76.08 -14.34 60.2 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 122.993 0.517 . . . . 0.0 111.031 177.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.6 19.58 74.87 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.944 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.716 ' HB2' ' HD2' ' A' ' 86' ' ' ARG . 32.0 t0 -86.6 78.4 9.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.619 0.723 . . . . 0.0 109.535 -175.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -61.47 -33.99 74.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.923 -1.035 . . . . 0.0 112.215 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -57.14 -45.84 83.2 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.528 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.807 HG23 ' HB3' ' A' ' 53' ' ' SER . 72.0 t -72.19 -36.66 56.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.86 178.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.542 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 71.2 t -56.46 -47.37 81.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -61.48 -35.96 79.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.149 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -68.19 -44.74 75.18 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.878 0.37 . . . . 0.0 110.707 177.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.776 HD21 ' HA ' ' A' ' 57' ' ' LYS . 48.5 mt -65.64 -36.1 82.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.439 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.542 ' HG2' ' O ' ' A' ' 92' ' ' VAL . 18.6 mm-40 -56.44 -34.75 67.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.953 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 58.3 t -61.35 -41.15 88.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.955 0.407 . . . . 0.0 110.514 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -67.3 -32.89 74.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.084 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.38 -37.03 86.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.605 177.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.537 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 39.4 mtt180 -69.36 -45.16 70.03 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.875 0.845 . . . . 0.0 108.84 178.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -55.36 -47.51 75.64 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 113.816 -1.538 . . . . 0.0 110.419 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.644 HD21 ' HB3' ' A' ' 73' ' ' ARG . 41.5 tp -69.68 -41.3 75.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.421 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.23 73.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.31 -0.404 . . . . 0.0 112.045 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 46.3 mtp180 -62.14 -29.67 70.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.694 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -76.4 -47.83 21.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.219 0.533 . . . . 0.0 111.185 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -64.49 -47.28 79.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.851 -173.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.6 -27.64 62.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.319 -177.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 104' ' ' ARG . 57.1 mt -67.99 -25.26 65.32 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -174.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -70.52 -78.17 0.08 Allowed 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.44 0.638 . . . . 0.0 110.805 -174.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -161.35 14.35 0.1 Allowed 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.472 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -34.67 74.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.249 -175.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 63.74 5.78 2.4 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.244 0.545 . . . . 0.0 111.273 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -79.17 96.48 5.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.183 -0.323 . . . . 0.0 110.995 -175.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -84.81 -58.36 2.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 172.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 . . . . . 0 C--O 1.248 1.004 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.882 175.791 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 120.639 0.256 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.584 ' N ' HE21 ' A' ' 2' ' ' GLN . 0.0 OUTLIER -69.51 163.69 24.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.933 0.397 . . . . 0.0 110.191 176.818 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.18 95.44 10.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.202 0.525 . . . . 0.0 111.612 -174.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.581 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 51.2 mm -68.79 -31.88 52.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.608 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 p -65.44 -39.89 92.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.956 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -71.18 -36.27 71.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.586 -175.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -69.54 -31.49 69.74 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.352 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 96.4 mt -62.52 -41.92 99.18 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.849 0.357 . . . . 0.0 110.247 175.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -61.23 -40.56 94.46 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.751 175.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.541 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -64.73 -49.5 70.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.474 -179.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.0 ptm -68.09 -29.96 69.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.731 0.3 . . . . 0.0 110.978 -177.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -64.54 -43.34 94.29 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 176.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.08 -7.56 54.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.658 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 28.8 mm-40 -83.33 -3.41 57.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 111.024 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.59 34.3 4.47 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.333 176.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.4 m -128.0 87.38 2.6 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.041 0.448 . . . . 0.0 109.84 173.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.24 146.12 30.61 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.437 ' HB3' ' HB3' ' A' ' 21' ' ' LEU . 4.9 t-20 -148.2 178.09 8.85 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -176.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -102.65 -61.39 1.4 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.01 -35.8 80.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.886 -177.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . 2.4 tm? -58.14 -47.69 82.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.626 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -71.54 -30.37 65.81 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.573 -177.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -69.7 -49.94 48.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.757 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.2 t -66.16 -33.25 75.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.681 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tt -56.7 -50.04 73.36 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 177.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.6 -38.76 61.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.089 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -58.49 -36.92 74.52 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 122.443 0.297 . . . . 0.0 111.261 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.6 m -61.01 -35.97 78.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.729 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -66.02 -43.45 87.59 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 176.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.47 98.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.768 -178.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -63.18 -34.87 78.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.267 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -90.7 19.14 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.217 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.451 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 31.0 tt0 72.3 15.86 5.21 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.433 0.635 . . . . 0.0 111.863 172.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -103.43 46.74 0.91 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.451 ' CE1' ' HA ' ' A' ' 33' ' ' GLU . 95.6 m-85 -50.84 -33.71 24.88 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 114.743 -1.117 . . . . 0.0 112.273 -175.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -53.4 -40.0 64.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.393 0.616 . . . . 0.0 111.358 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.6 -26.55 59.99 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.177 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.66 -36.95 76.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.571 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.416 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 6.7 mp -48.75 -54.33 28.41 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -172.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 21.8 Cg_endo -62.85 -36.71 59.75 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 121.821 1.681 . . . . 0.0 112.901 -178.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -71.99 -42.48 66.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.621 -177.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mp -65.0 -40.56 95.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.79 0.329 . . . . 0.0 110.821 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -68.51 -31.32 70.49 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.884 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.92 -31.13 68.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.875 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.28 -35.41 76.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.303 0.573 . . . . 0.0 110.103 174.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.408 HD12 HD12 ' A' ' 59' ' ' LEU . 97.1 mt -64.32 -24.11 67.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.978 177.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -58.99 -45.2 91.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.179 0.514 . . . . 0.0 110.624 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -81.03 -40.13 24.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.413 -178.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -143.41 87.41 8.46 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 120.773 0.321 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -70.45 -8.65 24.11 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.362 2.041 . . . . 0.0 111.575 179.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.589 ' HA ' ' HZ2' ' A' ' 56' ' ' TRP . 10.3 p -97.94 16.81 19.84 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.15 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -77.76 89.17 4.01 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.714 ' HB3' HG21 ' A' ' 91' ' ' VAL . 2.2 m -49.49 -36.29 22.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.151 -0.931 . . . . 0.0 112.609 -175.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.4 t -62.78 -37.54 79.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.962 0.41 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.573 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -68.94 -35.92 77.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.205 -177.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.589 ' HZ2' ' HA ' ' A' ' 51' ' ' THR . 29.0 m0 -57.22 -45.2 84.06 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.478 0.656 . . . . 0.0 109.917 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 1.073 ' HA ' HD21 ' A' ' 95' ' ' LEU . 61.7 tttt -65.28 -36.49 84.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.656 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -75.34 -30.77 60.35 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 78.4 mt -56.1 -49.98 72.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.856 0.36 . . . . 0.0 111.31 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.56 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -58.82 -44.1 96.15 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.662 178.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -65.98 -30.66 71.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.714 0.292 . . . . 0.0 111.352 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.441 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . 45.7 m -69.32 -44.23 72.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.723 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.9 mt -68.62 -31.96 71.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.955 0.407 . . . . 0.0 110.837 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -68.62 -30.47 69.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.645 174.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.84 -25.73 64.1 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.764 -0.732 . . . . 0.0 111.756 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -70.88 -48.95 51.01 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.18 24.26 2.49 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.499 -0.857 . . . . 0.0 113.257 175.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -114.37 105.4 13.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.452 0.644 . . . . 0.0 110.736 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.545 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 25.6 ttp180 -62.5 -44.28 96.76 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.848 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.78 -45.1 83.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.668 0.271 . . . . 0.0 111.719 -176.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.45 -39.89 95.97 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.885 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.47 86.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.456 0.17 . . . . 0.0 111.446 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 69' ' ' ARG . 1.8 ptm180 -65.17 -42.63 93.49 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.928 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -66.91 -38.06 85.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.696 0.284 . . . . 0.0 110.689 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.11 -43.32 98.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.742 177.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.624 ' CD1' HD23 ' A' ' 95' ' ' LEU . 8.0 m0 -63.66 -40.62 97.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.937 178.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -61.02 -40.05 92.08 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.871 0.367 . . . . 0.0 110.53 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.5 m -67.2 -45.77 75.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.537 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.28 -34.32 80.06 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.12 -0.562 . . . . 0.0 111.944 178.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 76' ' ' TRP . 10.7 tp -61.06 -52.31 65.5 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 178.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.92 -31.82 72.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.128 178.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 86' ' ' ARG . . . -65.09 -46.12 82.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.842 176.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.413 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -68.88 -36.97 78.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.858 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.664 HE21 HG21 ' A' ' 92' ' ' VAL . 21.1 mm-40 -59.0 -46.89 87.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.29 174.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.4 t -67.05 -39.29 86.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.147 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.515 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -76.34 -14.61 60.09 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.596 -177.117 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.99 17.51 74.49 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.577 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -93.63 80.69 4.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.143 0.496 . . . . 0.0 110.274 -178.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -55.96 -41.55 74.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.112 -178.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -56.13 -42.74 77.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.048 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.714 HG21 ' HB3' ' A' ' 53' ' ' SER . 48.2 t -68.34 -38.23 79.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.326 -179.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.664 HG21 HE21 ' A' ' 84' ' ' GLN . 78.4 t -58.51 -49.4 82.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.499 176.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.512 ' O ' HG23 ' A' ' 97' ' ' VAL . 69.5 mmtt -65.77 -38.24 88.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.824 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.87 -49.4 77.89 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 120.606 0.241 . . . . 0.0 111.564 175.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 1.073 HD21 ' HA ' ' A' ' 57' ' ' LYS . 81.4 mt -68.96 -33.99 74.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.566 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 50.4 tt0 -57.2 -42.27 80.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.833 177.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 93' ' ' LYS . 89.5 t -60.92 -42.17 91.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.764 0.316 . . . . 0.0 111.032 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -66.99 -35.27 79.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.903 0.382 . . . . 0.0 110.976 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.509 HD11 ' HA ' ' A' ' 96' ' ' GLN . 88.0 mt -61.22 -36.35 79.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.525 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 16.3 mmm180 -70.98 -46.93 61.48 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-O 121.249 0.547 . . . . 0.0 109.884 -178.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.6 ttp85 -53.88 -46.76 71.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.573 175.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.23 -42.28 98.34 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.21 -33.12 75.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.549 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 54.9 mtt180 -64.16 -46.35 84.42 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.15 0.5 . . . . 0.0 110.168 176.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.51 -33.55 64.82 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.004 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -63.46 -46.98 83.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.182 174.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.76 -27.77 43.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.581 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.2 mt -55.56 -38.06 68.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.959 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -103.24 -32.26 9.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.558 0.694 . . . . 0.0 110.838 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -85.86 4.06 38.92 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.381 -170.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -57.08 -56.11 26.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.69 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -135.3 70.01 1.44 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.507 0.67 . . . . 0.0 109.772 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -143.94 123.58 13.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.842 177.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -92.61 -24.61 18.63 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 176.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.335 -0.84 . . . . 0.0 109.667 176.494 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.528 ' OE1' ' HA ' ' A' ' 2' ' ' GLN . 5.5 tp60 -63.86 150.29 45.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.058 0.456 . . . . 0.0 111.088 -175.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.21 103.35 2.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.332 -171.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 59.6 mt -71.66 -25.13 24.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.096 175.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -34.12 66.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.554 -178.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -64.52 -45.75 85.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.31 -176.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -73.42 -32.8 64.63 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.7 0.286 . . . . 0.0 110.563 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.56 -40.81 89.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.878 0.371 . . . . 0.0 110.248 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.451 ' HA ' HD13 ' A' ' 12' ' ' LEU . 43.5 tt0 -66.62 -32.63 74.08 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.554 177.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.78 -30.05 71.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.031 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 86.6 mtp -63.31 -30.12 71.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.354 -178.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 9' ' ' GLU . 10.5 mp -59.0 -39.5 82.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.149 0.499 . . . . 0.0 110.647 178.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.4 -13.84 61.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.025 -178.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -86.45 -5.27 59.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.643 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.55 -27.32 15.53 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.855 -0.688 . . . . 0.0 113.28 175.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.9 m -86.12 79.46 9.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.653 0.74 . . . . 0.0 110.89 -176.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.625 ' HA ' HD22 ' A' ' 21' ' ' LEU . 31.8 t70 -142.6 113.46 7.51 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.638 172.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -135.04 -76.95 0.45 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.965 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.8 tpt -145.4 -57.3 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.78 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.574 HD12 ' HE1' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -77.01 71.51 3.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.314 0.578 . . . . 0.0 110.461 -173.012 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.625 HD22 ' HA ' ' A' ' 17' ' ' ASP . 3.7 pp -175.14 -33.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.433 175.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -73.11 -16.35 61.46 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.748 -175.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.574 ' HE1' HD12 ' A' ' 20' ' ' LEU . 22.1 p90 -69.96 -33.58 72.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.021 0.439 . . . . 0.0 110.34 177.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.6 m -66.94 -33.92 76.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.161 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.2 mt -60.55 -44.25 96.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.726 174.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.41 ' HA2' ' HD2' ' A' ' 29' ' ' TYR . . . -58.85 -43.26 96.72 Favored Glycine 0 C--N 1.333 0.401 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.89 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HG2' ' CZ2' ' A' ' 58' ' ' TRP . 92.9 mttt -56.68 -49.04 76.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.338 0.589 . . . . 0.0 110.487 175.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.3 m -63.4 -35.59 80.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.276 -175.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.41 ' HD2' ' HA2' ' A' ' 26' ' ' GLY . 29.1 m-85 -62.44 -47.23 84.98 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 175.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.05 87.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.418 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.39 -30.15 70.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -88.99 4.92 46.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.066 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 64.37 26.03 13.51 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.248 0.547 . . . . 0.0 111.282 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -98.69 45.94 1.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.609 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -52.59 -39.79 61.98 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.403 -173.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -54.84 -41.46 70.77 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.415 0.626 . . . . 0.0 111.098 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.505 ' O ' ' HD2' ' A' ' 41' ' ' HIS . . . -73.58 -27.41 61.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.95 -177.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.2 -38.25 78.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.371 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 mp -51.08 -54.82 33.63 Favored Pre-proline 0 N--CA 1.472 0.629 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -173.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.45 -38.66 61.91 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 121.738 1.625 . . . . 0.0 112.602 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.505 ' HD2' ' O ' ' A' ' 37' ' ' ALA . 93.8 m-70 -71.93 -39.65 69.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.014 -177.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.7 mt -71.1 -38.8 72.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.729 0.299 . . . . 0.0 110.85 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.1 tpt180 -63.21 -36.74 84.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.272 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.79 -43.33 68.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.081 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.8 -47.34 86.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.1 0.476 . . . . 0.0 110.998 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.467 HD23 ' HB1' ' A' ' 55' ' ' ALA . 82.6 mt -67.31 -24.32 65.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.121 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -69.58 -34.6 74.38 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.879 0.371 . . . . 0.0 110.405 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -81.5 -44.19 17.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.003 177.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -142.98 86.84 9.06 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.066 0.46 . . . . 0.0 110.293 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.55 -6.31 18.81 Favored 'Trans proline' 0 N--CA 1.475 0.407 0 C-N-CA 123.21 2.607 . . . . 0.0 113.783 -172.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.452 ' HA ' ' HZ2' ' A' ' 56' ' ' TRP . 11.9 t -96.14 14.18 24.81 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.778 0.323 . . . . 0.0 111.286 -175.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.506 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 25.1 t80 -75.4 91.31 2.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.125 0.488 . . . . 0.0 109.941 176.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.625 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 1.6 m -48.8 -36.8 17.5 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.311 1.044 . . . . 0.0 113.661 -174.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.506 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 54.9 t -60.53 -40.28 83.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.878 0.37 . . . . 0.0 110.738 -178.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.467 ' HB1' HD23 ' A' ' 46' ' ' LEU . . . -68.93 -28.3 66.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.723 -176.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.648 ' HZ3' ' HA ' ' A' ' 83' ' ' ALA . 43.2 m0 -58.08 -45.6 86.88 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.232 0.539 . . . . 0.0 110.516 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -64.8 -45.34 86.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.27 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.5 ' HD1' ' O ' ' A' ' 54' ' ' VAL . 87.4 m95 -67.47 -42.63 82.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.146 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.23 -49.52 75.75 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.05 -37.52 93.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.62 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -70.28 -24.3 63.02 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-O 120.805 0.336 . . . . 0.0 111.008 -177.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 84.9 m -58.7 -38.64 78.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.986 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.06 -42.46 94.57 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.912 177.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.47 -44.41 97.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.405 177.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.68 -27.15 73.62 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.325 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -78.03 -37.31 47.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.827 0.346 . . . . 0.0 110.233 177.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.9 -0.83 7.26 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.433 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -95.72 89.69 5.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.132 0.492 . . . . 0.0 110.277 -179.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.636 ' HD3' ' HB3' ' A' ' 105' ' ' GLU . 5.5 ptp85 -65.94 -33.67 76.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.056 178.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.01 -47.13 69.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.309 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.48 -37.87 94.84 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.927 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.16 -46.9 85.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.611 0.243 . . . . 0.0 110.747 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -58.62 -50.46 73.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.62 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -64.71 -37.14 86.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.057 -177.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.06 -44.15 80.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.056 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.526 ' HB3' HD23 ' A' ' 99' ' ' LEU . 21.5 m0 -67.52 -37.02 82.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.446 -178.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -61.83 -37.79 85.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.111 0.481 . . . . 0.0 110.384 175.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.4 t -72.6 -40.41 66.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.233 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.78 -31.26 67.54 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.504 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.4 tp -60.98 -50.86 71.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.033 0.444 . . . . 0.0 110.275 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.05 -33.44 73.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.104 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.97 -47.53 77.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.903 0.383 . . . . 0.0 110.002 176.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.648 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -64.57 -41.12 96.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.707 178.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -59.83 -47.75 84.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.0 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.0 t -61.97 -39.41 92.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.506 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 13.2 mmt180 -86.76 -11.57 50.67 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -177.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.09 21.15 57.82 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.643 -0.789 . . . . 0.0 113.042 175.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.16 75.18 9.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.816 0.817 . . . . 0.0 109.683 175.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -60.75 -38.62 85.79 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.256 -1.338 . . . . 0.0 111.763 -174.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.649 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 32.0 tt0 -55.93 -48.15 76.24 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.56 177.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.82 -37.98 81.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.559 -176.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 65.1 t -57.96 -53.17 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.306 177.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.429 ' HD3' ' OE1' ' A' ' 96' ' ' GLN . 74.0 mmtt -66.3 -30.91 71.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.932 -177.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.649 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 49.2 mt-10 -67.88 -47.15 69.67 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.721 0.296 . . . . 0.0 110.548 176.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.0 mt -66.35 -37.16 84.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.461 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.429 ' OE1' ' HD3' ' A' ' 93' ' ' LYS . 48.5 mt-30 -57.78 -31.03 66.14 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 179.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 96.9 t -61.85 -43.93 98.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-O 121.175 0.512 . . . . 0.0 110.415 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -67.35 -38.17 84.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.093 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.526 HD23 ' HB3' ' A' ' 76' ' ' TRP . 3.9 mm? -57.55 -34.4 69.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.845 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -66.93 -47.36 71.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.292 0.568 . . . . 0.0 110.405 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 101' ' ' ARG . 36.0 ttp180 -71.82 -35.13 69.83 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.566 -177.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.415 ' HG ' ' HZ3' ' A' ' 76' ' ' TRP . 3.3 tm? -65.39 -36.92 85.43 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.076 177.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.43 -30.78 61.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.37 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -56.19 -45.31 79.84 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.667 0.27 . . . . 0.0 110.739 -178.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.636 ' HB3' ' HD3' ' A' ' 69' ' ' ARG . 40.1 mt-10 -63.5 -42.41 98.52 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.114 0.483 . . . . 0.0 110.967 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -72.2 -45.97 58.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.376 -177.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.35 -48.13 81.15 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.7 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 71.2 mt -80.81 -27.3 36.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.642 0.258 . . . . 0.0 111.357 -178.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 54.81 52.99 11.11 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.548 -174.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 86.1 t60 62.33 20.75 12.04 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.483 0.659 . . . . 0.0 110.11 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 68.17 24.53 7.59 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.361 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -130.52 74.55 1.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.49 0.662 . . . . 0.0 110.322 -178.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -71.81 161.92 30.23 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.357 174.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -121.56 93.07 3.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.858 0.361 . . . . 0.0 110.793 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 38.1 m80 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.514 -0.755 . . . . 0.0 109.937 176.75 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.6 mtp . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -137.25 144.96 43.02 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 64.46 156.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 122.205 1.003 . . . . 0.0 112.116 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.5 mm -71.14 -18.17 20.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.827 176.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -55.9 -47.1 78.04 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.805 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -67.91 -41.84 82.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.734 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.584 ' O ' ' HG3' ' A' ' 11' ' ' MET . 5.8 ppt_? -72.56 -31.19 65.07 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.349 -175.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.629 ' HB2' HD22 ' A' ' 25' ' ' LEU . 67.8 mt -63.68 -50.7 68.21 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.216 -0.194 . . . . 0.0 111.104 178.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -59.66 -32.79 70.8 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.873 0.368 . . . . 0.0 111.328 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.81 -30.17 68.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.26 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.608 ' HA ' ' OE1' ' A' ' 14' ' ' GLN . 91.9 mtp -63.42 -27.56 69.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.862 -176.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.414 ' HG ' ' HA ' ' A' ' 17' ' ' ASP . 8.9 mp -63.62 -30.69 71.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.33 . . . . 0.0 110.877 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.92 -16.63 63.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.538 -177.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.608 ' OE1' ' HA ' ' A' ' 11' ' ' MET . 2.1 mp0 -78.19 4.13 13.42 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.151 178.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.79 33.32 4.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 0.0 113.307 173.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.3 m -154.46 96.6 1.92 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.982 0.42 . . . . 0.0 111.179 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.414 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 9.6 p-10 -93.29 96.1 9.77 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.749 0.785 . . . . 0.0 109.301 173.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -108.38 147.9 30.88 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.833 -176.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.72 -32.21 35.83 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.15 -172.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.7 tp -66.2 -32.93 74.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.117 0.484 . . . . 0.0 110.219 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 tt -64.32 -45.8 86.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.324 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.616 ' HG2' HD12 ' A' ' 25' ' ' LEU . 57.4 mtt180 -75.95 -17.16 59.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.579 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.43 -41.91 93.01 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 169.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.7 m -62.37 -38.99 91.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.856 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.629 HD22 ' HB2' ' A' ' 8' ' ' LEU . 34.1 mt -59.68 -46.24 89.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.544 177.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.437 ' HA2' ' HD2' ' A' ' 29' ' ' TYR . . . -58.98 -42.72 97.01 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.822 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 14.6 tmtt? -63.22 -40.27 96.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.374 -0.413 . . . . 0.0 110.57 176.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 m -69.64 -35.6 75.36 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.336 -179.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.486 ' HB3' ' HB3' ' A' ' 38' ' ' ALA . 21.7 m-85 -56.71 -46.5 81.22 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.987 0.422 . . . . 0.0 110.879 177.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.67 75.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.659 -175.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 27' ' ' LYS . 41.1 mt-10 -69.22 -33.38 73.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.015 0.436 . . . . 0.0 111.02 -178.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -93.24 12.54 24.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.525 -178.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.406 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 28.0 tt0 63.67 28.91 15.08 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.997 176.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -97.79 45.1 1.03 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.763 0.792 . . . . 0.0 109.08 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 81.7 m-85 -60.38 -32.07 70.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.735 -1.121 . . . . 0.0 112.176 -173.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.14 -45.01 96.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.353 0.597 . . . . 0.0 110.32 -177.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.5 -28.4 60.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.6 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.486 ' HB3' ' HB3' ' A' ' 29' ' ' TYR . . . -68.34 -37.13 80.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.889 -178.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.591 HD13 ' HG3' ' A' ' 66' ' ' GLN . 89.3 mt -49.66 -54.39 31.81 Favored Pre-proline 0 CA--C 1.541 0.607 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -173.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -71.42 -32.24 12.73 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 121.449 1.433 . . . . 0.0 111.536 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -66.78 -37.02 83.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.541 -177.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.44 -43.23 67.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.298 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -61.1 -38.25 85.62 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.729 0.299 . . . . 0.0 110.693 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.06 -36.47 79.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.927 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.17 81.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.737 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.5 -25.63 68.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.115 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.26 -38.76 88.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.135 0.493 . . . . 0.0 110.496 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -80.81 -43.57 19.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.645 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -145.55 87.26 7.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 120.971 0.415 . . . . 0.0 110.899 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.54 -4.98 16.29 Favored 'Trans proline' 0 N--CA 1.466 -0.126 0 C-N-CA 122.618 2.212 . . . . 0.0 112.195 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.7 p -93.3 11.65 27.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.956 -177.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.493 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 10.9 t80 -81.62 94.63 6.97 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 175.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.48 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 11.8 m -52.02 -41.02 61.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.715 -175.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.493 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 93.1 t -61.27 -36.18 71.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.934 0.397 . . . . 0.0 111.05 -179.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.06 -29.49 70.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.396 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.518 ' HH2' ' HG3' ' A' ' 86' ' ' ARG . 27.6 m0 -63.55 -45.73 89.18 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.444 0.64 . . . . 0.0 110.112 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.917 ' HA ' HD21 ' A' ' 95' ' ' LEU . 82.4 tttt -65.21 -39.21 92.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.964 -177.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -75.77 -29.65 58.85 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.67 -48.1 78.37 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 110.239 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.64 -39.14 97.52 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.051 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -66.96 -33.46 75.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.477 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 29.9 m -64.09 -43.23 96.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.515 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.24 -38.8 78.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.561 177.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -59.91 -49.65 76.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.169 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.15 -18.87 78.22 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.957 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.591 ' HG3' HD13 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -73.06 -30.69 63.89 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -178.758 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.49 -10.42 3.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.109 -1.043 . . . . 0.0 114.107 174.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -113.12 106.32 14.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.807 0.813 . . . . 0.0 111.682 -178.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.545 ' HD2' ' N ' ' A' ' 70' ' ' ALA . 1.9 ppt_? -65.29 -27.96 68.99 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.855 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.545 ' N ' ' HD2' ' A' ' 69' ' ' ARG . . . -66.96 -50.06 63.51 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.249 -173.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.07 -38.53 96.27 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.825 177.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.44 -47.98 83.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.536 0.208 . . . . 0.0 110.928 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -56.13 -50.77 70.19 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.419 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.67 -42.24 92.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.589 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.5 -47.09 87.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.34 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.547 ' CD1' HD23 ' A' ' 95' ' ' LEU . 12.3 m0 -65.27 -47.62 76.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.125 -178.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.6 -35.14 78.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.124 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.3 m -73.41 -45.91 51.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.795 0.331 . . . . 0.0 110.714 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.79 -23.68 69.31 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 121.379 -0.438 . . . . 0.0 112.725 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.9 tp -57.04 -45.02 83.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.215 0.531 . . . . 0.0 110.029 176.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.68 -31.09 71.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.123 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.01 87.27 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.41 -43.48 90.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.601 177.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -57.38 -45.6 84.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.28 174.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 t -59.02 -28.97 66.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.678 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.518 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 18.6 mmm180 -95.07 -13.61 25.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.598 0.237 . . . . 0.0 111.168 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.39 18.56 56.94 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.971 -0.633 . . . . 0.0 113.203 177.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.45 ' O ' HG22 ' A' ' 92' ' ' VAL . 4.3 m-20 -88.99 78.81 7.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.929 0.395 . . . . 0.0 111.12 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -56.93 -37.94 72.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.838 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.485 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 32.7 tt0 -56.31 -47.55 78.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.854 176.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.35 -38.54 82.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.14 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 88' ' ' ASP . 86.3 t -58.17 -44.97 88.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.324 176.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.518 ' O ' HG22 ' A' ' 97' ' ' VAL . 57.2 mtmt -67.0 -41.97 85.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 45.3 mt-10 -60.19 -48.91 79.74 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 120.887 0.375 . . . . 0.0 110.981 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.917 HD21 ' HA ' ' A' ' 57' ' ' LYS . 49.9 mt -68.88 -32.49 72.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.167 -179.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -59.89 -39.52 85.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.987 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 93' ' ' LYS . 64.9 t -59.48 -37.91 72.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.922 -177.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.429 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 92.9 m-85 -62.44 -45.63 92.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.629 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.4 HD22 ' HB2' ' A' ' 76' ' ' TRP . 89.0 mt -62.02 -33.88 75.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.964 -176.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 100' ' ' ARG . 7.5 mtm180 -68.71 -44.61 73.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.409 0.623 . . . . 0.0 110.307 -176.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -70.65 -41.31 72.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.799 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' A' ' 106' ' ' ASP . 2.6 tm? -62.93 -43.45 98.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.98 -31.56 60.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.9 -178.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 104' ' ' ARG . 21.3 mtp180 -59.75 -47.69 84.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.974 -179.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -76.41 -38.75 55.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.079 0.466 . . . . 0.0 111.157 175.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.643 ' HB2' HD11 ' A' ' 102' ' ' LEU . 14.7 t70 -62.31 -37.7 86.57 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.676 -175.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.53 -40.33 78.55 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.223 178.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.5 mt -81.23 -51.27 8.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.718 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 65.66 -2.4 0.87 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.517 0.727 . . . . 0.0 112.057 -175.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -108.67 -23.6 11.72 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.047 0.451 . . . . 0.0 111.932 -171.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -83.63 -1.89 54.92 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.377 -169.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.426 ' O ' ' HB3' ' A' ' 113' ' ' HIS . 19.6 p80 -99.69 -3.27 33.37 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 118.969 -1.092 . . . . 0.0 113.876 -171.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.426 ' HB3' ' O ' ' A' ' 112' ' ' HIS . 7.8 p80 -175.61 30.73 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 170.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -164.72 151.83 11.21 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.69 -0.632 . . . . 0.0 111.199 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 65.5 m80 . . . . . 0 C--O 1.245 0.824 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.374 172.607 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.5 ptp . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.974 0.416 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -104.55 -175.38 2.78 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.981 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.22 63.18 1.64 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.175 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.477 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 46.7 mm -56.87 -38.91 61.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.332 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.7 t -58.6 -35.52 72.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.259 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.71 -49.1 69.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.715 0.293 . . . . 0.0 110.939 -175.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 4' ' ' ILE . 5.9 ppt_? -66.92 -31.19 71.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.407 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.1 -46.03 75.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.848 176.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.78 -35.47 78.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.002 0.429 . . . . 0.0 110.376 177.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.462 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -65.57 -49.6 68.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.199 178.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.8 ptm -69.03 -28.85 66.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.603 0.239 . . . . 0.0 110.556 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.508 HD11 HD22 ' A' ' 21' ' ' LEU . 6.7 tt -62.93 -40.72 98.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.32 -9.3 58.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.366 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 28.8 mm-40 -88.62 -5.3 58.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.923 0.392 . . . . 0.0 110.583 176.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.58 49.7 0.64 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.16 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.444 ' HB ' ' HA ' ' A' ' 12' ' ' LEU . 14.5 m -129.35 89.77 2.9 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -106.56 89.81 3.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.956 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.501 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 13.5 m120 -119.33 157.47 28.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.913 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 19.5 ttt -73.22 -49.6 27.01 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.413 178.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.17 -42.56 98.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.594 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.508 HD22 HD11 ' A' ' 12' ' ' LEU . 5.2 tt -58.92 -37.7 77.27 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 -177.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 18' ' ' ASN . 69.1 mtt180 -59.31 -39.18 82.22 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.727 178.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -70.14 -42.95 71.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.989 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.4 m -56.52 -41.56 76.93 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.138 -178.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.41 HD11 ' HE1' ' A' ' 41' ' ' HIS . 94.1 mt -60.91 -48.89 79.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.383 176.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.31 -41.39 99.52 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.418 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -59.66 -39.72 85.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.864 0.364 . . . . 0.0 110.458 177.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.7 m -65.38 -43.9 89.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.784 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -64.15 -43.57 94.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.935 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.65 -44.34 96.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.132 -176.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.49 -36.95 74.55 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 121.15 0.5 . . . . 0.0 110.873 176.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -91.39 21.78 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.44 -176.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 69.56 19.85 7.29 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.05 172.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -104.13 46.23 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.845 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.462 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 82.5 m-85 -52.87 -36.38 59.0 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.996 -177.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -52.73 -48.53 66.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.842 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.09 -30.31 69.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.158 -176.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.91 -37.02 70.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.748 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 35' ' ' PHE . 95.6 mt -49.48 -54.89 25.96 Favored Pre-proline 0 N--CA 1.469 0.511 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -171.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -69.06 -32.3 21.77 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 121.526 1.484 . . . . 0.0 112.34 -177.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.41 ' HE1' HD11 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -71.24 -42.69 68.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.599 -176.475 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.2 -40.11 71.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.767 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -62.56 -40.69 97.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.572 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.26 -41.63 96.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.794 0.33 . . . . 0.0 111.174 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.0 -45.55 67.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.257 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.0 mt -65.14 -24.96 67.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.932 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.72 -45.43 92.19 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.826 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -77.2 -43.52 33.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.43 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -149.08 89.21 4.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 121.296 0.569 . . . . 0.0 110.754 -177.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.25 -2.4 11.13 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 123.184 2.589 . . . . 0.0 113.535 -176.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.63 -6.88 28.37 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -174.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.468 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 16.1 t80 -69.54 94.3 0.75 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.067 0.46 . . . . 0.0 110.016 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.419 ' HA ' ' CE2' ' A' ' 56' ' ' TRP . 1.4 p -61.4 -34.25 75.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.778 -172.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.468 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 59.2 t -63.16 -35.92 73.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.084 0.468 . . . . 0.0 110.713 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.3 -28.44 68.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.676 -175.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.798 ' HH2' ' HG3' ' A' ' 86' ' ' ARG . 37.3 m0 -58.67 -47.66 83.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.035 0.445 . . . . 0.0 110.738 -178.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.94 ' HA ' HD22 ' A' ' 95' ' ' LEU . 86.6 tttt -66.45 -36.65 83.31 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.005 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -75.35 -30.55 60.28 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.689 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.38 -42.96 99.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 110.18 -178.19 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.512 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -64.29 -39.7 97.26 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.919 176.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -63.06 -42.47 99.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.717 0.294 . . . . 0.0 111.537 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.417 ' HB ' ' CD2' ' A' ' 39' ' ' LEU . 1.3 p -71.53 -41.21 69.45 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -175.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.564 HD13 ' HB1' ' A' ' 75' ' ' ALA . 32.0 mt -69.29 -31.35 69.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.766 0.317 . . . . 0.0 110.63 175.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -64.63 -48.93 73.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.415 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 63.51 19.22 62.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.208 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 66.24 18.43 10.93 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.115 0.566 . . . . 0.0 111.04 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -148.18 -41.62 0.04 OUTLIER Glycine 0 CA--C 1.523 0.537 0 C-N-CA 120.048 -1.072 . . . . 0.0 113.942 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -90.8 99.21 12.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.585 0.707 . . . . 0.0 110.891 -173.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -65.67 -29.91 70.53 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.84 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 74' ' ' GLN . . . -67.0 -50.2 62.96 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 121.181 -0.208 . . . . 0.0 111.511 -175.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.44 -35.2 91.66 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.386 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.463 ' HB2' ' CZ3' ' A' ' 76' ' ' TRP . . . -60.73 -50.34 73.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.387 -0.406 . . . . 0.0 110.819 176.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -57.77 -49.22 77.32 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.757 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 70' ' ' ALA . 97.0 mt-30 -55.97 -45.9 78.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.77 -177.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.564 ' HB1' HD13 ' A' ' 63' ' ' LEU . . . -67.64 -47.57 69.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.033 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.512 ' NE1' ' HA3' ' A' ' 60' ' ' GLY . 24.5 m0 -67.41 -37.13 82.61 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -173.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -62.85 -39.6 94.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.022 0.439 . . . . 0.0 110.284 176.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -70.46 -44.86 66.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.348 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.53 -34.97 90.59 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.035 178.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.0 tp -62.98 -46.76 86.17 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.173 0.511 . . . . 0.0 110.1 179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.21 -33.34 74.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.197 177.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.13 -41.92 89.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.233 0.54 . . . . 0.0 109.856 175.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.97 -36.77 78.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.813 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -61.77 -46.05 91.25 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.316 174.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.6 t -59.31 -38.28 79.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.786 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.798 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 7.1 mmm180 -76.53 -15.69 59.81 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 177.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.61 24.18 67.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.939 -174.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.471 ' O ' HG23 ' A' ' 92' ' ' VAL . 3.9 m-20 -93.44 86.38 5.23 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.615 0.721 . . . . 0.0 110.645 -176.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -53.78 -40.2 66.06 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.238 -1.347 . . . . 0.0 112.834 -177.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -56.64 -43.84 80.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.321 . . . . 0.0 111.066 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.2 t -71.81 -37.82 63.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.981 0.42 . . . . 0.0 110.108 -178.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 88' ' ' ASP . 64.6 t -58.19 -47.5 87.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.325 177.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.56 ' O ' HG22 ' A' ' 97' ' ' VAL . 46.6 mtmt -62.8 -44.35 96.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.768 -178.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.86 -49.39 77.93 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.94 HD22 ' HA ' ' A' ' 57' ' ' LYS . 64.5 mt -69.62 -32.67 71.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.819 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -59.72 -39.9 86.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 93' ' ' LYS . 90.1 t -59.12 -38.38 73.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.489 -177.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -65.02 -41.13 95.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.197 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.19 -36.25 83.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.081 0.467 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -75.28 -47.84 26.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.286 0.565 . . . . 0.0 109.852 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.482 ' O ' ' HG2' ' A' ' 105' ' ' GLU . 51.7 ttt180 -59.1 -41.0 87.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.048 176.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 47.4 tp -58.11 -38.24 76.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.744 0.307 . . . . 0.0 110.716 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.78 -31.71 72.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.442 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.409 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 82.4 mtt180 -65.0 -47.54 77.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.987 0.422 . . . . 0.0 110.134 175.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 101' ' ' ARG . 4.6 mm-40 -64.77 -44.28 90.54 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.08 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.413 ' OD2' ' HB3' ' A' ' 111' ' ' HIS . 19.9 t70 -60.49 -41.3 93.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.014 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.82 -29.96 71.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.469 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 105' ' ' GLU . 88.1 mt -59.11 -41.95 89.37 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.893 0.378 . . . . 0.0 110.499 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -85.83 10.54 13.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.894 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 57.19 34.89 25.49 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.51 178.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.413 ' HB3' ' OD2' ' A' ' 106' ' ' ASP . 12.2 t-80 -80.79 -62.07 1.78 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 68.91 92.11 0.09 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.163 0.506 . . . . 0.0 111.858 168.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -137.18 -34.35 0.72 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.819 174.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 64.07 16.88 10.28 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.013 0.525 . . . . 0.0 111.147 -178.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 . . . . . 0 C--O 1.243 0.722 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.5 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.469 ' HA ' ' CD ' ' A' ' 6' ' ' GLU . 50.3 ttm . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 121.048 0.452 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -143.16 152.64 42.02 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 170.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 71.2 164.51 0.28 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 122.082 0.944 . . . . 0.0 110.958 -177.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.52 HG23 ' HG ' ' A' ' 8' ' ' LEU . 74.9 mt -72.16 -22.36 20.97 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.582 -175.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.445 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 1.2 p -57.06 -51.4 69.44 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 -176.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.469 ' CD ' ' HA ' ' A' ' 1' ' ' MET . 45.8 mt-10 -63.7 -38.84 92.64 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -174.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -73.81 -32.16 63.6 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.784 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.52 ' HG ' HG23 ' A' ' 4' ' ' ILE . 32.9 mt -66.37 -35.42 80.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.764 176.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 5' ' ' THR . 7.7 mm-40 -52.33 -41.47 63.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.919 0.39 . . . . 0.0 110.627 176.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -71.35 -39.08 71.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.044 177.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 88.7 mtp -68.67 -41.48 79.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.687 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 12' ' ' LEU . 4.1 mm? -64.53 -29.22 70.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.891 0.377 . . . . 0.0 110.581 177.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.71 -7.16 54.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.325 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 77.6 mm-40 -89.93 -8.44 51.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.808 178.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.9 32.7 13.98 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.367 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -102.6 78.41 1.71 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.426 0.631 . . . . 0.0 109.917 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -76.95 125.92 30.12 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.437 -176.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.581 ' HB2' ' HB2' ' A' ' 21' ' ' LEU . 42.4 m-80 -145.97 154.34 41.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.451 174.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.424 ' C ' ' H ' ' A' ' 21' ' ' LEU . 1.1 tmt? -82.21 -45.39 15.13 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 176.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 99.1 mt -78.95 24.3 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.581 ' HB2' ' HB2' ' A' ' 18' ' ' ASN . 26.4 tp -115.78 -29.7 6.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.51 175.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -77.48 -29.32 52.57 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.515 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -67.22 -32.49 73.57 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.846 -179.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 m -61.1 -41.36 96.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.098 176.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.32 -48.3 73.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.282 176.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.445 ' HA2' ' CD2' ' A' ' 29' ' ' TYR . . . -58.49 -47.26 90.91 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.599 -0.728 . . . . 0.0 113.302 -176.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 40.7 mtpt -58.45 -40.45 82.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.913 0.387 . . . . 0.0 110.726 178.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.2 m -67.26 -34.09 76.7 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.219 -176.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.445 ' CD2' ' HA2' ' A' ' 26' ' ' GLY . 26.7 m-85 -60.07 -46.35 89.85 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.956 0.408 . . . . 0.0 110.182 177.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.99 86.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.352 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -64.2 -22.71 67.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.503 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -102.48 14.95 30.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.139 -175.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 68.48 20.66 8.43 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.533 0.682 . . . . 0.0 110.775 175.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.423 ' HG3' ' HB3' ' A' ' 37' ' ' ALA . 44.6 tp60 -108.85 46.27 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.754 -177.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.406 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 70.4 m-85 -54.71 -35.6 63.82 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.427 -176.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -53.52 -49.1 68.29 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.375 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.423 ' HB3' ' HG3' ' A' ' 34' ' ' GLN . . . -74.99 -28.41 60.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.257 -177.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.53 91.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.325 -177.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.469 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 84.0 mt -53.54 -54.44 45.68 Favored Pre-proline 0 CA--C 1.543 0.683 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 -171.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.541 ' HG2' ' HD2' ' A' ' 41' ' ' HIS . 51.1 Cg_endo -71.68 -32.51 11.72 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 121.539 1.493 . . . . 0.0 112.682 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.541 ' HD2' ' HG2' ' A' ' 40' ' ' PRO . 12.4 m-70 -71.62 -36.21 70.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.744 -177.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.17 -39.95 95.09 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.336 174.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -59.87 -39.79 86.45 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.494 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.23 -37.76 72.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.575 -176.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.01 -48.65 43.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.892 0.377 . . . . 0.0 111.625 175.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.474 HD21 ' HB2' ' A' ' 55' ' ' ALA . 90.5 mt -74.32 -26.65 60.29 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -173.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -62.93 -38.01 89.3 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.139 0.495 . . . . 0.0 109.756 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -83.28 -43.64 15.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.442 176.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -140.31 88.76 11.17 Favored Pre-proline 0 N--CA 1.464 0.252 0 CA-C-O 120.942 0.401 . . . . 0.0 110.922 -174.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -81.0 -1.51 11.25 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 123.078 2.519 . . . . 0.0 113.117 -175.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -17.99 50.41 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -173.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.565 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 11.1 t80 -77.93 96.32 5.0 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.952 0.406 . . . . 0.0 111.154 -175.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.635 ' HB3' HG22 ' A' ' 91' ' ' VAL . 14.8 m -56.23 -38.61 71.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.423 -177.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.565 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 21.5 t -57.35 -36.05 51.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 121.123 0.487 . . . . 0.0 110.949 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.474 ' HB2' HD21 ' A' ' 46' ' ' LEU . . . -68.55 -28.65 67.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.862 -176.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.509 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 11.3 m0 -63.19 -47.27 83.33 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.661 0.743 . . . . 0.0 109.046 178.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.643 ' HA ' HD21 ' A' ' 95' ' ' LEU . 30.8 ttpt -65.18 -34.82 79.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.834 178.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -65.67 -47.02 76.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.266 175.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.47 -48.35 77.29 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.415 -178.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.09 -41.08 99.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -71.39 -26.22 62.69 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.088 0.47 . . . . 0.0 110.602 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 65.0 m -71.8 -42.51 66.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.558 178.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 75' ' ' ALA . 36.6 mt -67.2 -29.76 69.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.28 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.606 ' HA ' ' HB2' ' A' ' 72' ' ' ALA . 21.2 tp60 -56.45 -50.07 72.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.731 177.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.51 17.05 11.97 Favored Glycine 0 CA--C 1.521 0.406 0 CA-C-N 116.012 -0.54 . . . . 0.0 113.178 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.543 ' H ' ' HG3' ' A' ' 64' ' ' GLN . 49.9 tt0 65.94 13.98 9.34 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 122.943 0.497 . . . . 0.0 110.987 -178.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.89 -44.21 0.04 OUTLIER Glycine 0 CA--C 1.521 0.46 0 C-N-CA 119.944 -1.122 . . . . 0.0 114.191 -175.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -91.31 95.91 10.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.531 0.682 . . . . 0.0 110.513 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.7 ptp85 -65.86 -29.54 70.0 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.766 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.91 -50.3 56.96 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.424 -173.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.39 -39.14 91.58 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.694 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.606 ' HB2' ' HA ' ' A' ' 64' ' ' GLN . . . -62.06 -51.98 65.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.754 0.312 . . . . 0.0 110.842 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 69.8 ttt180 -59.67 -51.05 71.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.369 -178.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -57.2 -38.15 73.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.136 -177.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.516 ' HB3' HD11 ' A' ' 63' ' ' LEU . . . -67.13 -44.36 80.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.347 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.516 ' CD1' HD23 ' A' ' 95' ' ' LEU . 20.0 m0 -71.02 -39.85 72.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.282 -177.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 73' ' ' ARG . 12.3 mm-40 -60.11 -42.62 95.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.265 0.555 . . . . 0.0 109.769 178.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -74.13 -43.3 57.99 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.259 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.36 -24.56 73.63 Favored Glycine 0 C--N 1.331 0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.911 -177.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.4 tp -58.72 -43.55 90.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.112 0.482 . . . . 0.0 110.256 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.08 75.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.349 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.98 90.47 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 176.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.53 -42.49 91.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.659 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -58.23 -49.4 77.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.278 177.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.2 t -63.46 -38.16 90.09 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.283 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.498 ' HG3' ' CH2' ' A' ' 56' ' ' TRP . 10.3 mmm180 -76.24 -13.21 60.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.701 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.53 22.42 78.52 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.601 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -89.78 82.23 6.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.65 0.738 . . . . 0.0 109.404 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -64.14 -37.25 86.79 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.312 -175.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.586 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 46.4 tt0 -55.93 -47.62 77.19 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.515 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.635 HG22 ' HB3' ' A' ' 53' ' ' SER . 75.4 t -64.91 -37.16 79.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.688 -177.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 64.2 t -57.54 -47.98 84.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.449 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.411 ' O ' HG22 ' A' ' 97' ' ' VAL . 53.5 mtmt -67.72 -40.68 84.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.422 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.586 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 88.8 mt-10 -61.34 -48.38 81.59 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.775 0.321 . . . . 0.0 110.96 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.643 HD21 ' HA ' ' A' ' 57' ' ' LYS . 59.2 mt -67.63 -34.49 77.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.603 178.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -56.78 -33.98 67.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.171 178.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 93' ' ' LYS . 93.1 t -59.7 -40.62 82.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.239 0.542 . . . . 0.0 110.241 179.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.4 ' HB3' ' CH2' ' A' ' 76' ' ' TRP . 98.4 m-85 -67.68 -36.42 80.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.835 178.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' A' ' 76' ' ' TRP . 4.0 mm? -62.18 -35.6 79.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.426 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -65.68 -44.84 85.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.503 0.668 . . . . 0.0 109.89 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 101' ' ' ARG . 22.6 ttt180 -63.7 -41.62 98.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.646 177.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -39.19 88.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.823 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.03 -31.6 68.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.889 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -69.16 -28.89 66.82 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.546 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -75.65 -41.44 54.07 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.063 0.458 . . . . 0.0 109.819 172.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.58 -44.33 76.81 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.928 174.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.06 -27.73 34.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.481 -1.236 . . . . 0.0 112.499 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 91.6 mt -68.0 -36.5 80.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.067 0.46 . . . . 0.0 110.544 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -96.53 -4.18 41.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.711 0.767 . . . . 0.0 110.57 -178.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -121.66 11.46 10.52 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.038 -173.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -68.88 -38.73 79.86 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.195 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -86.34 64.43 8.54 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 174.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -41.25 -43.23 2.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 113.285 -1.779 . . . . 0.0 112.567 -175.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 74.38 -46.4 0.61 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.127 0.571 . . . . 0.0 111.587 176.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 85.1 t60 . . . . . 0 C--O 1.244 0.788 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 175.315 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -78.51 177.0 8.88 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 174.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.533 ' HB1' ' HG3' ' A' ' 6' ' ' GLU . . . -100.76 127.28 47.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.275 0.56 . . . . 0.0 110.202 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.529 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 62.5 mt -60.11 -28.47 41.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.495 178.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.479 HG22 ' HA ' ' A' ' 25' ' ' LEU . 1.7 p -57.46 -37.16 72.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.475 178.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.533 ' HG3' ' HB1' ' A' ' 3' ' ' ALA . 39.2 mt-10 -56.3 -49.73 73.46 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 -177.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -74.76 -32.87 62.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.191 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.544 HD23 HD13 ' A' ' 21' ' ' LEU . 70.9 mt -67.19 -38.15 84.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.413 -178.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.82 -36.2 62.25 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.627 0.251 . . . . 0.0 111.348 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.32 -38.94 85.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.924 0.392 . . . . 0.0 110.773 177.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.5 ttm -68.68 -39.38 80.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.466 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.93 -37.17 78.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.694 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.05 -6.49 45.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.922 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -91.56 4.2 53.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.671 0.272 . . . . 0.0 110.813 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.49 37.16 11.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.77 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 m -132.24 93.99 3.37 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 -177.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.487 ' HB3' HH11 ' A' ' 22' ' ' ARG . 6.7 m-20 -93.7 -45.37 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.194 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 59.93 -159.24 0.31 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.152 -178.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.442 ' HE3' ' HB3' ' A' ' 49' ' ' ASP . 14.0 tpt -111.91 -59.2 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.085 0.469 . . . . 0.0 110.482 176.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.443 HD11 ' O ' ' A' ' 20' ' ' LEU . 2.2 tm? -67.32 -32.49 73.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.166 -176.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.544 HD13 HD23 ' A' ' 8' ' ' LEU . 45.8 tp -60.5 -59.83 4.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.448 -177.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.487 HH11 ' HB3' ' A' ' 17' ' ' ASP . 8.2 ptm180 -60.35 -28.01 67.83 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -176.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -69.67 -41.09 75.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.379 . . . . 0.0 110.67 176.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 95.2 m -57.82 -36.53 72.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.788 -176.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.479 ' HA ' HG22 ' A' ' 5' ' ' THR . 7.4 mp -65.44 -44.02 88.62 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.986 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.17 -47.94 88.42 Favored Glycine 0 C--O 1.228 -0.241 0 C-N-CA 120.861 -0.685 . . . . 0.0 113.092 -173.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -63.67 -35.95 82.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.891 0.376 . . . . 0.0 111.422 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.9 m -69.13 -36.4 77.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -68.34 -36.36 79.12 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.884 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.7 90.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 0.0 110.634 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.9 -22.4 65.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.616 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.91 18.59 7.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.897 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 67.55 23.89 8.79 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.374 0.607 . . . . 0.0 111.354 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -118.69 43.12 2.6 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 175.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -58.66 -32.11 68.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.195 -1.366 . . . . 0.0 112.286 -175.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -55.86 -48.08 76.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.223 0.535 . . . . 0.0 110.468 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.01 -27.9 61.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.948 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.08 87.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.632 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.6 mt -51.9 -54.42 40.64 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -174.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -65.12 -32.36 52.88 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 121.427 1.418 . . . . 0.0 112.343 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -72.18 -37.14 69.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.764 -178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.8 mt -71.0 -47.75 57.06 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 ttt85 -62.92 -31.59 72.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.581 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.04 -32.46 72.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.821 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.03 -46.91 64.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.919 0.39 . . . . 0.0 110.539 177.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.506 HD23 ' HB2' ' A' ' 55' ' ' ALA . 71.7 mt -65.29 -24.34 67.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.984 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -55.91 -41.62 74.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.127 0.489 . . . . 0.0 111.069 -179.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -81.59 -38.63 25.79 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.417 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.442 ' HB3' ' HE3' ' A' ' 19' ' ' MET . 7.8 t0 -144.29 89.65 6.92 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.827 0.346 . . . . 0.0 110.619 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -69.22 -3.6 11.99 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 123.298 2.665 . . . . 0.0 113.375 -175.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.66 10.92 9.93 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -172.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.483 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 10.6 t80 -82.98 95.09 7.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.279 0.561 . . . . 0.0 110.365 -179.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.635 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 4.9 m -56.61 -33.36 66.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.08 -0.963 . . . . 0.0 112.965 -173.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.483 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 54.4 t -63.11 -36.49 76.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.013 0.435 . . . . 0.0 110.583 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.534 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -71.07 -28.77 64.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.589 -176.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.646 ' HZ3' ' HA ' ' A' ' 83' ' ' ALA . 33.0 m0 -60.6 -48.38 82.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.214 0.531 . . . . 0.0 110.128 -178.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.557 ' HA ' HD21 ' A' ' 95' ' ' LEU . 38.5 ttpt -66.47 -34.94 79.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.787 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -66.13 -37.58 86.05 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.989 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 72.2 mt -56.62 -52.27 65.51 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.659 0.266 . . . . 0.0 111.481 -177.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.89 -39.1 97.61 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.16 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -59.01 -44.09 91.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.159 0.504 . . . . 0.0 110.963 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.3 m -70.5 -36.77 73.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.639 -177.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.36 -34.82 76.76 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.049 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -60.8 -48.61 81.04 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.204 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.97 -28.43 71.8 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.073 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -65.65 -38.05 88.26 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.145 0.497 . . . . 0.0 109.675 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.67 -10.82 4.6 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.325 -0.941 . . . . 0.0 113.577 173.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -90.27 98.61 11.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.613 0.721 . . . . 0.0 110.866 -174.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 69' ' ' ARG . 20.1 ttp180 -61.02 -43.82 98.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.743 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' A' ' 74' ' ' GLN . . . -67.52 -49.22 64.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.197 -178.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.7 -43.2 96.49 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.636 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.87 -42.38 97.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.059 0.457 . . . . 0.0 110.387 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -63.02 -48.82 77.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.367 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 70' ' ' ALA . 12.8 mm-40 -65.23 -40.25 93.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.952 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.41 94.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.173 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.478 ' CH2' ' HB3' ' A' ' 98' ' ' PHE . 22.2 m0 -68.68 -36.89 79.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.417 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.42 -35.11 70.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.67 0.271 . . . . 0.0 111.287 177.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.9 m -70.24 -42.29 72.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.023 0.44 . . . . 0.0 109.842 176.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.37 -25.63 73.66 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.13 177.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.437 HD12 HG12 ' A' ' 92' ' ' VAL . 12.1 tp -62.57 -53.67 51.21 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.278 0.561 . . . . 0.0 110.081 178.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.75 -30.86 71.89 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.934 178.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.01 84.29 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.646 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -64.88 -42.25 94.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.513 177.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -58.76 -46.67 86.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.377 175.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 t -61.51 -38.96 89.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.158 178.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -79.66 -16.03 56.5 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 120.9 0.381 . . . . 0.0 111.771 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.97 13.26 72.28 Favored Glycine 0 CA--C 1.523 0.577 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.406 -177.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -84.32 79.29 9.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.322 0.582 . . . . 0.0 110.553 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -62.22 -36.18 81.16 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.745 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -56.1 -47.47 78.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.439 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.3 t -65.79 -38.68 82.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.761 -177.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.437 HG12 HD12 ' A' ' 80' ' ' LEU . 90.1 t -58.39 -50.28 79.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.514 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -67.72 -35.36 78.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.343 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -58.86 -49.06 79.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.092 0.473 . . . . 0.0 110.6 173.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.557 HD21 ' HA ' ' A' ' 57' ' ' LYS . 98.7 mt -63.67 -32.82 74.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.405 -179.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 92' ' ' VAL . 30.0 mm-40 -56.87 -38.11 72.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.216 178.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.6 t -62.44 -44.85 99.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.32 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.478 ' HB3' ' CH2' ' A' ' 76' ' ' TRP . 89.1 m-85 -68.35 -38.0 81.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.213 -175.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.4 -32.44 68.62 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.953 0.406 . . . . 0.0 111.696 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -65.36 -44.9 86.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.087 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -55.35 -43.6 75.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.391 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 102' ' ' LEU . 12.4 mt -67.63 -31.65 71.8 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.08 -34.56 73.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.884 0.374 . . . . 0.0 110.443 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -73.21 -34.53 65.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.031 0.443 . . . . 0.0 110.317 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.68 -42.49 86.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.458 175.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.417 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 12.5 t70 -71.46 -35.06 70.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.961 -177.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.28 -52.44 62.0 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.561 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.3 mt -80.01 -51.28 9.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.425 -176.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 106' ' ' ASP . 51.8 mt-10 62.08 5.07 1.34 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.335 0.654 . . . . 0.0 112.694 -176.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -110.43 -15.83 13.83 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.396 0.617 . . . . 0.0 110.182 178.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -80.05 -22.84 41.87 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.281 177.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -105.73 2.44 27.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.799 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -137.2 87.78 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.576 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -153.19 -28.28 0.14 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.12 175.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.3 t60 . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.532 -0.747 . . . . 0.0 109.346 176.864 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.177 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -71.2 161.88 30.36 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.483 ' HB3' ' HG2' ' A' ' 6' ' ' GLU . . . -72.72 86.81 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.323 0.582 . . . . 0.0 111.091 -177.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.9 mt -66.85 -35.98 76.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.135 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.8 p -59.56 -43.28 93.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.718 -177.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.483 ' HG2' ' HB3' ' A' ' 3' ' ' ALA . 5.1 mm-40 -69.21 -39.85 78.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.133 -174.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -73.99 -32.2 63.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.5 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.504 ' HB3' HD11 ' A' ' 25' ' ' LEU . 75.2 mt -68.03 -47.14 69.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.729 0.299 . . . . 0.0 110.923 176.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.68 -32.75 73.88 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.356 0.598 . . . . 0.0 110.399 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.19 -28.27 67.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.511 178.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.3 ttp -58.25 -25.14 61.39 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.638 -175.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.573 ' HA ' ' O ' ' A' ' 16' ' ' THR . 60.6 mt -58.04 -35.71 71.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.955 0.407 . . . . 0.0 110.808 177.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.44 -6.05 52.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.647 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -86.92 2.74 48.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.976 0.417 . . . . 0.0 110.688 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.41 39.07 3.8 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.967 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.573 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 24.8 m -150.09 96.01 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -115.49 106.0 13.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.966 0.412 . . . . 0.0 111.328 -176.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -147.81 165.51 30.34 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 176.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.808 ' HE3' ' HB3' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -85.06 -24.07 28.28 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 171.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.54 67.15 2.02 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.997 -178.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.5 ' O ' HG23 ' A' ' 24' ' ' THR . 4.0 pp -175.63 -34.52 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.671 -1.15 . . . . 0.0 109.222 175.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.764 ' HA ' HD12 ' A' ' 25' ' ' LEU . 74.0 mtt180 -70.83 -13.6 62.1 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.758 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -62.75 -40.41 97.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.582 0.23 . . . . 0.0 110.687 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 21' ' ' LEU . 14.8 t -69.82 -34.07 73.18 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.764 HD12 ' HA ' ' A' ' 22' ' ' ARG . 7.2 mp -63.26 -50.25 70.9 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 176.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.45 ' HA3' HD23 ' A' ' 42' ' ' LEU . . . -60.45 -43.08 99.14 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.373 -178.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -63.19 -38.78 92.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.751 0.31 . . . . 0.0 110.259 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.0 m -68.4 -37.68 80.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.973 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.438 ' HD2' ' HA2' ' A' ' 26' ' ' GLY . 50.3 m-85 -59.59 -47.3 86.11 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 174.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.09 -45.18 93.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.966 -178.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.18 -22.63 66.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.39 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -91.12 7.14 42.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 69.44 15.76 8.31 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.856 0.862 . . . . 0.0 110.744 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -95.02 43.77 1.09 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -178.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.628 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 90.6 m-85 -55.09 -34.77 63.92 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.05 -177.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -53.01 -50.69 63.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.939 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.48 -28.87 56.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.273 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.12 -38.37 85.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.585 -177.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.424 ' HB3' ' HD3' ' A' ' 40' ' ' PRO . 1.6 tt -53.58 -54.81 41.71 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.233 -173.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD3' ' HB3' ' A' ' 39' ' ' LEU . 45.9 Cg_endo -71.24 -30.81 15.33 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.519 1.479 . . . . 0.0 112.491 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.55 -40.46 76.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.048 0.451 . . . . 0.0 110.158 -177.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.45 HD23 ' HA3' ' A' ' 26' ' ' GLY . 79.1 mt -71.97 -45.09 62.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.738 175.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -59.21 -38.34 79.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.177 -177.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.9 -43.64 98.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.765 0.317 . . . . 0.0 110.994 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.49 -42.55 74.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.02 0.438 . . . . 0.0 110.697 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.468 HD22 ' HB1' ' A' ' 55' ' ' ALA . 83.5 mt -64.96 -25.03 67.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.339 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.77 -33.73 76.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.916 0.388 . . . . 0.0 110.237 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -78.11 -44.12 27.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.63 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.808 ' HB3' ' HE3' ' A' ' 19' ' ' MET . 9.1 t70 -146.83 88.07 6.09 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 121.148 0.499 . . . . 0.0 110.175 -177.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.88 -2.79 10.85 Favored 'Trans proline' 0 N--CA 1.469 0.063 0 C-N-CA 123.141 2.561 . . . . 0.0 113.488 -174.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.61 -1.64 14.31 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -173.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -78.52 88.98 4.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.481 0.658 . . . . 0.0 110.775 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.853 ' HB2' HG22 ' A' ' 91' ' ' VAL . 9.8 p -55.98 -36.73 68.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.857 -1.065 . . . . 0.0 113.172 -175.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.1 t -57.08 -36.54 51.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.071 0.462 . . . . 0.0 111.06 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.468 ' HB1' HD22 ' A' ' 46' ' ' LEU . . . -70.95 -28.63 64.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.812 -176.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.631 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 19.5 m0 -63.51 -47.29 82.29 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.55 0.69 . . . . 0.0 110.036 -178.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.571 ' HA ' HD21 ' A' ' 95' ' ' LEU . 21.5 tttt -62.26 -40.84 97.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.629 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -75.4 -28.54 59.48 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.405 ' O ' ' HB ' ' A' ' 62' ' ' THR . 6.7 tt -58.17 -41.65 84.29 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.424 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -60.65 -44.04 98.32 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.225 176.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -66.9 -24.69 66.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.719 0.295 . . . . 0.0 110.896 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.628 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 72.6 m -63.35 -49.52 73.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.345 178.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.41 -38.54 87.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.759 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 17.6 tm0? -60.18 -50.11 74.95 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.329 -178.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.34 -22.31 76.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.562 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.27 -28.88 66.69 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 120.91 8.5 8.02 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.98 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -113.57 93.08 4.22 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HD3' ' CB ' ' A' ' 105' ' ' GLU . 28.0 ttm-85 -66.25 -38.57 88.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.78 -177.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.83 84.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.389 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.39 -28.92 73.71 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.66 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.34 -50.73 62.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.664 0.269 . . . . 0.0 111.102 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 50.0 ptt85 -67.3 -41.98 84.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.478 -176.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -64.65 -33.62 76.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.935 0.398 . . . . 0.0 110.464 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.86 99.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.601 178.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.508 ' CD1' HD23 ' A' ' 95' ' ' LEU . 12.1 m0 -71.08 -37.05 72.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.859 178.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.97 -40.3 92.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.873 0.368 . . . . 0.0 110.338 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.2 t -73.6 -41.61 62.62 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.552 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.95 -28.41 73.63 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 121.273 -0.489 . . . . 0.0 112.895 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.439 HD13 HG12 ' A' ' 92' ' ' VAL . 12.5 tp -59.42 -49.16 78.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.076 0.465 . . . . 0.0 110.155 178.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.12 71.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.599 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.34 96.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.022 0.439 . . . . 0.0 110.104 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.27 -41.16 73.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.49 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -58.27 -41.85 85.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.972 176.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.0 m -56.22 -39.58 72.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.107 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.8 mmt-85 -90.22 -13.46 35.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.885 0.374 . . . . 0.0 111.785 178.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.73 38.13 57.03 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.647 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.474 ' O ' HG22 ' A' ' 92' ' ' VAL . 10.2 t0 -92.39 88.24 6.32 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.512 0.672 . . . . 0.0 109.206 -179.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -60.31 -35.67 76.13 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.282 -176.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -56.82 -48.25 78.42 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.789 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.853 HG22 ' HB2' ' A' ' 53' ' ' SER . 98.0 t -70.58 -37.66 70.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.709 -177.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.484 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 91.2 t -58.17 -51.06 75.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.307 177.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -61.81 -39.65 92.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.336 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -58.65 -49.41 77.62 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.16 0.505 . . . . 0.0 111.224 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.571 HD21 ' HA ' ' A' ' 57' ' ' LYS . 90.7 mt -67.86 -32.33 72.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.224 -177.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 92' ' ' VAL . 19.5 mm-40 -56.8 -37.37 71.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.826 176.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.72 -41.83 85.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 121.034 0.445 . . . . 0.0 110.508 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -65.48 -32.86 74.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.351 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.47 -35.61 79.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.063 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 27.1 mtt180 -71.45 -44.82 64.09 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.903 0.858 . . . . 0.0 109.076 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -56.49 -47.99 78.08 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 113.654 -1.612 . . . . 0.0 110.752 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.99 -42.69 76.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.442 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.78 -37.83 74.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.507 -177.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.408 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 82.6 mtt180 -61.71 -33.77 74.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.16 177.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.459 ' CB ' ' HD3' ' A' ' 69' ' ' ARG . 54.9 mt-10 -75.34 -47.26 28.5 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 120.68 0.276 . . . . 0.0 111.129 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -67.23 -37.0 82.84 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.102 0.477 . . . . 0.0 110.396 -176.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.59 -27.69 62.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.39 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 104' ' ' ARG . 97.3 mt -75.83 -34.52 60.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 0.0 110.906 178.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -88.02 -19.04 27.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.437 0.637 . . . . 0.0 111.205 -174.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -121.51 22.43 10.67 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.68 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -58.68 -65.64 0.62 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.915 -174.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -116.11 59.59 0.73 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.045 0.45 . . . . 0.0 110.632 -176.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -84.11 117.75 23.66 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -79.16 131.83 36.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.978 0.418 . . . . 0.0 110.721 -178.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 28.7 m170 . . . . . 0 C--O 1.248 1.015 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.152 -176.055 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.67 0.272 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -82.49 170.89 14.73 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.14 174.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.463 ' HB3' ' HG2' ' A' ' 6' ' ' GLU . . . -150.31 143.64 25.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.023 0.439 . . . . 0.0 111.024 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.462 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 81.4 mt -59.78 -39.82 80.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.841 176.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.481 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 17.8 p -61.53 -49.55 76.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.153 -176.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.463 ' HG2' ' HB3' ' A' ' 3' ' ' ALA . 11.0 pt-20 -65.44 -37.93 88.37 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -175.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 4' ' ' ILE . 8.2 ppt_? -72.11 -31.0 65.64 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.61 -0.436 . . . . 0.0 109.933 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.55 ' HB3' HD13 ' A' ' 25' ' ' LEU . 63.0 mt -64.43 -45.26 88.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.199 171.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 5' ' ' THR . 43.5 mt-10 -59.96 -36.08 76.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.693 177.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.39 72.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.28 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 86.0 mtp -60.86 -33.27 72.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.892 0.377 . . . . 0.0 110.558 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.48 -30.66 61.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.951 0.405 . . . . 0.0 110.174 176.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.13 -37.4 69.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.052 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -77.46 -8.43 57.75 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.411 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.23 21.48 29.78 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.762 -0.732 . . . . 0.0 113.552 173.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 m -96.58 45.83 1.06 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.585 0.707 . . . . 0.0 110.088 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -73.42 143.05 46.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.835 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.464 ' O ' ' HB2' ' A' ' 19' ' ' MET . 21.3 m-80 -147.06 -13.97 0.41 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.0 -175.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.464 ' HB2' ' O ' ' A' ' 18' ' ' ASN . 72.6 mmm 73.68 -50.0 0.69 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.966 -173.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.91 60.25 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.689 . . . . 0.0 110.15 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -160.69 -48.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.411 -177.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.89 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.2 ptp85 -69.95 -10.07 57.29 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -69.54 -31.86 70.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.092 0.472 . . . . 0.0 110.74 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.5 m -66.45 -34.0 76.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.158 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.89 HD11 ' HA ' ' A' ' 22' ' ' ARG . 8.3 mp -56.75 -45.82 81.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.029 -178.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.474 ' HA3' HD22 ' A' ' 42' ' ' LEU . . . -64.2 -33.13 86.42 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.375 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.97 -46.78 89.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.42 0.153 . . . . 0.0 111.147 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.8 m -57.81 -42.04 83.43 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.451 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -62.9 -42.88 99.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.949 0.404 . . . . 0.0 110.122 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.51 -37.71 80.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.134 -177.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -71.11 -22.44 62.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.185 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -88.59 7.72 31.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.615 175.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 63.64 20.87 12.46 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.718 -178.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -108.0 71.94 0.83 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.498 ' HB2' ' HB2' ' A' ' 66' ' ' GLN . 83.2 m-85 -67.48 -34.44 77.17 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.644 -177.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.48 -37.73 65.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.018 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.429 ' O ' ' HD2' ' A' ' 41' ' ' HIS . . . -73.15 -27.87 61.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.166 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.6 -37.54 73.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.414 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.403 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 7.6 mp -49.7 -54.45 31.39 Favored Pre-proline 0 N--CA 1.472 0.671 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -173.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 18.7 Cg_endo -61.7 -40.43 45.93 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 121.811 1.674 . . . . 0.0 112.842 -176.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.429 ' HD2' ' O ' ' A' ' 37' ' ' ALA . 91.0 m-70 -72.09 -41.69 67.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.898 -177.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.474 HD22 ' HA3' ' A' ' 26' ' ' GLY . 89.3 mt -67.0 -42.09 85.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.684 179.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -67.28 -31.28 71.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.299 -178.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.35 96.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.477 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.45 -37.48 87.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.645 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.444 HD11 HD22 ' A' ' 59' ' ' LEU . 96.4 mt -64.85 -25.09 67.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.177 178.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -71.12 -37.32 72.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.312 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -78.73 -43.8 24.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.104 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.464 ' HB3' ' HE3' ' A' ' 19' ' ' MET . 41.1 t0 -145.06 88.76 6.69 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-O 121.07 0.462 . . . . 0.0 110.717 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -68.23 -3.93 11.75 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 123.042 2.494 . . . . 0.0 112.4 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.37 6.59 44.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.929 -177.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.481 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 12.4 t80 -72.82 93.62 1.71 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.33 -179.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.595 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 28.3 p -59.58 -34.5 72.8 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.51 -174.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.481 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 85.3 t -62.59 -36.6 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.004 0.431 . . . . 0.0 110.587 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -70.51 -32.33 69.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.024 -177.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.595 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 39.0 m0 -57.33 -47.38 81.72 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.167 0.508 . . . . 0.0 109.817 179.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.884 ' HA ' HD22 ' A' ' 95' ' ' LEU . 35.2 ttpt -66.15 -37.0 84.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.385 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -67.92 -34.33 76.42 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 88.8 mt -56.39 -52.27 65.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.584 0.23 . . . . 0.0 111.521 -177.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.421 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -61.11 -42.42 99.78 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.279 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -59.33 -45.54 91.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.955 0.407 . . . . 0.0 111.094 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.3 m -64.29 -49.12 73.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.657 -175.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 59' ' ' LEU . 3.9 mm? -61.33 -46.0 92.07 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.223 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -62.68 -40.45 97.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.542 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.76 -42.16 98.66 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.355 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.498 ' HB2' ' HB2' ' A' ' 35' ' ' PHE . 56.3 tp60 -66.93 -38.14 85.62 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.977 0.418 . . . . 0.0 110.474 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.83 18.16 2.19 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.972 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -107.98 86.69 2.34 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 69' ' ' ARG . 27.1 ttp85 -65.4 -34.98 79.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.984 -177.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.36 -46.78 72.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.567 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.94 -36.62 93.29 Favored Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.804 177.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.49 -50.32 74.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.615 0.245 . . . . 0.0 110.427 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -59.87 -43.62 94.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.447 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -56.84 -45.61 82.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.085 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.08 -40.39 86.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.544 ' CD1' HD21 ' A' ' 95' ' ' LEU . 12.7 m0 -64.82 -48.37 74.62 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.674 -179.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.19 -38.53 90.76 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.93 0.395 . . . . 0.0 110.789 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 t -65.66 -47.9 73.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.222 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.64 -27.89 72.84 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.14 -0.553 . . . . 0.0 112.38 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 76' ' ' TRP . 9.0 tp -64.28 -53.94 41.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 0.0 110.187 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.2 -30.86 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.519 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.94 -44.5 89.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.036 0.446 . . . . 0.0 109.811 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.427 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -69.66 -38.13 76.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.767 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.474 ' OE1' HG23 ' A' ' 92' ' ' VAL . 14.5 mm100 -60.88 -44.6 96.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 110.762 175.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.6 t -66.43 -34.77 78.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.557 177.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -75.57 -14.17 60.38 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 122.942 0.497 . . . . 0.0 111.108 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.32 28.27 64.24 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.115 -177.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -105.7 87.86 2.69 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.357 0.599 . . . . 0.0 109.476 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -64.35 -36.4 84.02 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.192 -178.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.644 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 35.5 tt0 -56.54 -48.22 77.76 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 -178.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.88 -39.04 83.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 120.958 0.409 . . . . 0.0 110.653 -176.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.474 HG23 ' OE1' ' A' ' 84' ' ' GLN . 66.2 t -59.27 -51.44 72.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.55 177.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -67.66 -30.17 69.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.728 -177.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.644 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 42.2 mt-10 -64.96 -49.6 69.68 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.899 0.381 . . . . 0.0 110.3 175.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.884 HD22 ' HA ' ' A' ' 57' ' ' LYS . 67.6 mt -66.67 -31.64 72.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.132 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.522 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 35.0 tt0 -56.55 -36.41 69.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.993 177.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.19 -40.88 84.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 110.282 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -66.82 -37.06 83.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.724 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.63 -33.05 75.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.246 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 32.1 mtm-85 -69.12 -47.09 66.03 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.404 0.621 . . . . 0.0 110.065 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -61.67 -41.03 97.0 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.063 175.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.9 tp -58.53 -34.35 70.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.124 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.96 -36.55 83.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -68.23 -40.71 81.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.974 177.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.29 -40.79 90.27 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.286 177.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -56.8 -44.7 82.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.947 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.75 -29.15 62.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.914 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.75 -22.24 66.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.651 0.262 . . . . 0.0 111.371 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -116.93 11.02 14.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.053 0.454 . . . . 0.0 109.94 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -124.12 -7.73 7.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.581 -172.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -83.26 -15.7 49.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.648 -170.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -114.46 -55.02 2.53 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.862 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 60.83 73.57 0.48 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.415 0.626 . . . . 0.0 110.257 -176.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -138.98 140.29 38.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.535 -178.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.2 p80 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.521 -0.752 . . . . 0.0 109.747 178.957 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.575 ' HG3' ' OE2' ' A' ' 6' ' ' GLU . 50.1 ttm . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 121.019 0.438 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -129.67 150.31 51.04 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 174.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 71.63 96.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.998 0.811 . . . . 0.0 109.661 -170.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.546 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 38.0 mm -56.37 -13.62 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 114.39 -1.277 . . . . 0.0 112.916 -173.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.9 t -55.86 -32.52 63.71 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -173.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.575 ' OE2' ' HG3' ' A' ' 1' ' ' MET . 0.1 OUTLIER -72.4 -40.52 67.15 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 118.632 0.651 . . . . 0.0 111.031 -175.605 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -73.5 -31.02 63.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 0.0 110.238 177.878 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.543 ' HG ' HG23 ' A' ' 4' ' ' ILE . 98.9 mt -63.64 -43.98 95.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.128 0.49 . . . . 0.0 109.734 172.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -62.49 -32.09 72.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.444 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.48 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -61.33 -43.18 99.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.993 177.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.435 ' HE1' ' HA ' ' A' ' 8' ' ' LEU . 54.7 mtm -64.9 -36.3 83.93 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.209 0.528 . . . . 0.0 110.081 177.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.24 -40.47 90.36 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 176.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.31 -7.9 50.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.775 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 82.5 mm-40 -97.02 8.39 44.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.986 0.422 . . . . 0.0 110.139 176.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.39 25.21 48.4 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.275 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.0 m -104.12 80.93 1.78 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.336 0.589 . . . . 0.0 109.989 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -91.38 105.58 17.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.224 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.465 ' HB2' ' HB2' ' A' ' 21' ' ' LEU . 7.4 m120 -117.45 148.26 41.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.342 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.4 ' HE1' ' O ' ' A' ' 45' ' ' ALA . 15.5 tpt -64.74 -41.44 95.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.928 177.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.26 20.22 2.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.797 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.465 ' HB2' ' HB2' ' A' ' 18' ' ' ASN . 47.9 tp -113.49 -52.43 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.878 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -53.27 -41.25 65.36 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.116 0.484 . . . . 0.0 110.826 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -68.24 -40.34 82.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.832 -178.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.3 m -64.4 -36.59 84.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.431 -177.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 mp -60.88 -44.93 96.4 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.817 0.341 . . . . 0.0 110.197 175.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.25 -43.92 98.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.098 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -56.94 -45.41 82.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.007 0.432 . . . . 0.0 110.912 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.8 m -69.25 -41.01 77.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.451 -175.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -66.58 -41.77 88.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.928 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.6 90.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.326 . . . . 0.0 110.92 -176.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -58.16 -32.15 67.93 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.143 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -100.04 22.26 11.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.174 -176.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 75.17 9.77 3.79 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.299 0.571 . . . . 0.0 111.593 171.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.48 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 5.9 tp60 -91.86 48.46 1.44 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.612 0.72 . . . . 0.0 109.122 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -50.49 -34.37 24.79 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.437 -175.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -52.2 -48.93 64.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.04 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.19 -27.14 59.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.462 -175.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.81 -38.87 73.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.65 -177.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.405 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 5.3 mp -52.44 -54.38 42.93 Favored Pre-proline 0 N--CA 1.47 0.572 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -173.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 25.2 Cg_endo -64.27 -33.81 58.18 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 121.697 1.598 . . . . 0.0 112.477 -178.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -71.75 -46.35 58.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.43 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.36 -36.29 78.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.715 0.293 . . . . 0.0 110.839 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -63.42 -42.17 98.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.116 178.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.25 -43.32 91.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.755 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.4 ' O ' ' HE1' ' A' ' 19' ' ' MET . . . -60.66 -44.62 96.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 111.207 179.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.453 HD21 ' HB2' ' A' ' 55' ' ' ALA . 43.7 mt -67.42 -25.88 66.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.329 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.24 -40.34 74.51 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.119 0.485 . . . . 0.0 109.898 176.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -74.11 -44.44 53.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.104 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.416 ' OD1' HG22 ' A' ' 51' ' ' THR . 5.2 t0 -151.05 88.73 4.41 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-O 121.024 0.44 . . . . 0.0 111.034 -175.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -68.2 -3.41 10.73 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 123.442 2.761 . . . . 0.0 113.66 -175.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.416 HG22 ' OD1' ' A' ' 49' ' ' ASP . 1.3 t -79.73 -7.94 58.93 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -174.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -75.51 96.46 3.49 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.034 0.445 . . . . 0.0 111.423 -178.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.646 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 10.9 p -60.1 -31.41 70.02 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.992 -179.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.6 t -57.69 -36.59 55.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.373 177.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.453 ' HB2' HD21 ' A' ' 46' ' ' LEU . . . -69.78 -40.4 76.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.511 -178.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.646 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 3.5 m0 -60.98 -47.79 84.81 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.773 0.797 . . . . 0.0 109.505 -179.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.954 ' HA ' HD21 ' A' ' 95' ' ' LEU . 72.0 tttt -65.47 -42.55 92.16 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.507 -1.224 . . . . 0.0 111.921 -176.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -74.32 -33.98 63.34 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -60.9 -44.13 97.57 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.457 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -61.85 -43.94 98.53 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.39 176.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -58.15 -41.18 83.21 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.003 0.43 . . . . 0.0 110.721 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.1 m -62.49 -49.23 76.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.322 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.22 -34.52 76.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.596 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -67.18 -38.52 85.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.969 0.414 . . . . 0.0 110.163 176.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.91 -26.91 71.55 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.558 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -84.06 -28.51 27.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.948 0.404 . . . . 0.0 110.217 177.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.26 44.29 4.73 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.355 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -112.72 103.56 11.59 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -57.67 -49.72 75.56 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.944 -174.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.77 -47.76 65.4 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -177.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.8 -40.93 97.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.873 -176.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.22 -47.43 70.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.863 0.363 . . . . 0.0 110.59 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -62.36 -38.34 89.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.005 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -56.96 -45.92 82.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.344 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.65 -43.38 80.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.645 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.54 ' CD1' HD23 ' A' ' 95' ' ' LEU . 11.6 m0 -66.38 -48.75 69.13 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -64.17 -35.33 80.43 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.925 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.6 m -70.8 -43.3 68.96 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 177.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.45 -30.63 62.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.387 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.58 -49.0 76.99 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.17 -34.08 74.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.064 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.84 96.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.01 0.433 . . . . 0.0 109.878 176.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.43 -38.37 84.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.632 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -58.11 -51.16 70.86 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.155 174.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.9 m -57.45 -39.17 75.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.497 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -79.23 -12.55 59.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.655 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.07 29.51 72.28 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.039 -176.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.45 ' O ' HG22 ' A' ' 92' ' ' VAL . 8.4 t70 -99.04 83.84 2.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.396 0.617 . . . . 0.0 109.859 -177.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -63.48 -30.88 71.93 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.12 -0.946 . . . . 0.0 112.32 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -57.54 -48.22 79.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.402 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.437 HG22 ' HB2' ' A' ' 53' ' ' SER . 74.1 t -68.29 -38.09 78.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.77 0.319 . . . . 0.0 110.774 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 88' ' ' ASP . 97.0 t -57.96 -48.76 83.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.226 178.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.473 ' O ' HG21 ' A' ' 97' ' ' VAL . 59.5 mtmt -67.7 -32.12 72.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.892 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -63.49 -50.66 68.78 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 121.077 0.465 . . . . 0.0 111.129 175.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.954 HD21 ' HA ' ' A' ' 57' ' ' LYS . 69.3 mt -69.49 -32.09 70.76 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.83 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.514 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 36.1 tt0 -56.97 -37.94 72.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.022 177.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.473 HG21 ' O ' ' A' ' 93' ' ' LYS . 91.5 t -60.96 -44.82 98.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 121.004 0.43 . . . . 0.0 110.625 177.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -67.28 -31.01 71.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.991 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.449 HD23 ' HB3' ' A' ' 76' ' ' TRP . 93.4 mt -63.58 -38.17 90.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.64 177.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 21.2 mmt180 -64.85 -49.63 69.83 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 121.816 0.817 . . . . 0.0 109.628 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -56.59 -41.43 76.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.196 -1.366 . . . . 0.0 111.103 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.499 ' HG ' ' HZ3' ' A' ' 76' ' ' TRP . 3.2 tm? -60.86 -43.72 97.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.367 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.04 -32.6 73.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.354 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 73.6 mtt-85 -70.93 -39.96 72.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.669 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -65.91 -39.42 90.57 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.09 175.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.27 -49.02 75.42 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.654 174.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 111' ' ' HIS . . . -55.78 -28.48 56.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.183 -177.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.9 mt -62.61 -19.74 64.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.698 0.285 . . . . 0.0 111.575 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -126.48 12.11 7.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.98 0.419 . . . . 0.0 110.115 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -137.78 10.66 2.89 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.558 -170.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 107' ' ' ALA . 2.0 t60 -76.47 -63.5 1.32 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.218 -173.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -110.25 8.26 23.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.217 0.532 . . . . 0.0 110.361 -178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.93 104.8 12.53 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 173.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -94.93 -4.36 46.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.145 0.498 . . . . 0.0 110.45 -173.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 . . . . . 0 C--O 1.249 1.064 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.841 177.468 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.4 mtm . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 121.025 0.44 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -97.45 144.95 26.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.749 177.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.18 169.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 122.128 0.966 . . . . 0.0 111.707 -177.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.468 ' O ' HD22 ' A' ' 8' ' ' LEU . 65.8 mt -64.81 -23.26 33.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.236 175.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.491 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 17.6 m -60.51 -52.74 63.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.429 -176.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -69.17 -38.13 78.56 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -172.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -64.92 -37.26 87.06 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.385 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.516 ' HA ' ' HG2' ' A' ' 11' ' ' MET . 3.8 mm? -67.26 -41.75 85.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.028 176.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 5' ' ' THR . 51.5 mm-40 -56.37 -44.63 80.36 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.892 0.377 . . . . 0.0 110.772 177.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.58 -48.87 65.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.45 -178.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.516 ' HG2' ' HA ' ' A' ' 8' ' ' LEU . 26.7 ptm -69.93 -32.17 70.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.582 0.23 . . . . 0.0 111.185 -174.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.38 -44.73 96.66 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 177.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.71 -21.98 64.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.427 -178.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -78.53 -9.52 59.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.899 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.97 26.66 5.43 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.726 -0.749 . . . . 0.0 113.053 177.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.5 m -108.96 79.56 1.23 Allowed 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.144 0.497 . . . . 0.0 110.819 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -91.09 92.05 8.54 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.43 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 15.4 t-20 -85.5 170.38 12.7 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.506 -174.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.555 ' HE1' ' HB2' ' A' ' 49' ' ' ASP . 24.9 ttt -76.1 -50.93 13.34 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.371 -176.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -85.04 15.3 4.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.747 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.67 ' HB3' HH11 ' A' ' 22' ' ' ARG . 0.3 OUTLIER -56.24 -42.14 76.87 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.932 -179.614 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.67 HH11 ' HB3' ' A' ' 21' ' ' LEU . 4.6 mpt_? -69.63 -40.45 76.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.547 -177.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -69.92 -42.43 73.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.312 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 t -64.29 -34.59 78.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.184 -175.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.2 mt -71.82 -36.65 70.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.945 0.402 . . . . 0.0 110.475 175.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.477 ' HA2' ' HD2' ' A' ' 29' ' ' TYR . . . -60.88 -28.37 68.38 Favored Glycine 0 C--N 1.332 0.354 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.528 179.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HE2' ' CZ2' ' A' ' 58' ' ' TRP . 16.2 mmtp -56.14 -49.86 72.74 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.765 0.317 . . . . 0.0 111.056 177.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.5 m -67.69 -33.72 75.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.242 -176.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.477 ' HD2' ' HA2' ' A' ' 26' ' ' GLY . 48.8 m-85 -66.89 -46.35 75.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.748 0.308 . . . . 0.0 110.18 176.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.79 -41.87 74.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.217 -175.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -68.46 -22.58 64.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.07 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -96.51 18.07 14.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 110.968 175.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 68.68 15.4 9.05 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.824 172.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -97.93 71.11 2.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.376 0.608 . . . . 0.0 109.91 175.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.405 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 93.2 m-85 -67.33 -30.72 70.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.514 179.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -56.82 -48.42 78.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.586 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.419 ' O ' ' HD2' ' A' ' 41' ' ' HIS . . . -74.64 -32.1 62.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.366 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.47 -38.69 71.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.839 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.439 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 1.8 tt -51.81 -53.76 47.52 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -172.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 18.8 Cg_endo -59.71 -33.69 96.38 Favored 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 122.106 1.871 . . . . 0.0 112.734 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.419 ' HD2' ' O ' ' A' ' 37' ' ' ALA . 60.6 m-70 -71.56 -44.41 64.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.638 0.256 . . . . 0.0 110.718 -178.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.65 -38.99 88.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.727 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 43' ' ' ARG . 32.3 ttt85 -61.98 -42.76 99.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.711 0.291 . . . . 0.0 110.603 177.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.47 -34.95 77.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.883 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.92 -47.53 62.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.011 177.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.0 mt -65.38 -29.05 69.73 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 111.892 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.2 -45.53 92.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.263 0.554 . . . . 0.0 110.298 176.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -83.31 -39.1 21.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.252 -177.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.555 ' HB2' ' HE1' ' A' ' 19' ' ' MET . 57.6 t0 -120.0 86.54 37.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.938 0.399 . . . . 0.0 111.262 -177.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.65 -4.24 14.97 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.924 2.416 . . . . 0.0 111.905 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.62 5.86 43.98 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -177.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.594 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 10.0 t80 -88.12 86.76 7.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.021 0.439 . . . . 0.0 110.059 179.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.571 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 3.8 m -48.71 -42.05 33.8 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.268 -178.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.594 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 38.2 t -58.8 -35.93 58.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.137 -178.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.9 -31.2 64.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.504 -176.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.571 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 6.9 m0 -61.88 -47.96 82.67 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 176.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.58 ' HE3' ' HB3' ' A' ' 94' ' ' GLU . 29.9 tttm -66.12 -36.86 84.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.553 -177.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.444 ' CZ2' ' HE2' ' A' ' 27' ' ' LYS . 23.0 m95 -74.85 -31.38 61.62 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 178.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -60.33 -45.25 94.1 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.65 -41.06 99.87 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.995 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -62.62 -36.19 81.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.844 0.354 . . . . 0.0 111.311 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.405 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 58.4 m -64.95 -42.37 94.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.604 179.019 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.27 -32.62 71.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.481 178.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.424 HE21 ' HH2' ' A' ' 76' ' ' TRP . 6.6 tp-100 -59.17 -49.38 78.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.383 175.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.45 -27.06 68.48 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.537 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -71.61 -16.6 62.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.075 0.465 . . . . 0.0 110.455 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.61 22.98 48.66 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.455 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -109.69 89.29 2.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -66.37 -31.37 72.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.17 -176.921 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.01 -49.53 60.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.321 . . . . 0.0 110.786 -178.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.4 -40.72 96.44 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.865 178.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.14 -41.95 85.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.893 0.378 . . . . 0.0 110.707 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -51.9 65.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.274 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -70.62 -36.56 73.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.461 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.38 -40.68 89.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.611 -177.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.524 ' CD1' HD23 ' A' ' 95' ' ' LEU . 12.0 m0 -66.68 -35.66 80.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.922 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -60.01 -40.51 89.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.051 0.453 . . . . 0.0 110.178 174.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.1 t -71.77 -37.45 70.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.125 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.09 -39.86 94.84 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.201 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.5 -47.86 84.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.33 0.11 . . . . 0.0 110.913 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.49 -32.6 74.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.697 0.284 . . . . 0.0 111.075 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.408 ' O ' ' HD2' ' A' ' 86' ' ' ARG . . . -66.97 -45.31 78.09 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.56 -39.49 84.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.803 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.625 HE21 HG22 ' A' ' 92' ' ' VAL . 22.8 mm-40 -61.4 -44.63 96.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.127 176.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.2 t -64.32 -38.98 92.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.642 178.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.408 ' HD2' ' O ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -76.05 -14.0 60.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.63 0.252 . . . . 0.0 111.469 177.308 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.54 18.28 79.87 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.445 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.447 ' O ' HG23 ' A' ' 92' ' ' VAL . 9.1 t0 -85.73 90.14 7.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.718 0.771 . . . . 0.0 109.767 -176.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -60.49 -41.54 94.46 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.331 -1.304 . . . . 0.0 112.108 -178.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.495 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 40.8 tt0 -56.69 -47.82 79.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.369 -177.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 68.9 t -66.6 -37.89 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.656 -174.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.625 HG22 HE21 ' A' ' 84' ' ' GLN . 67.0 t -58.88 -45.45 91.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.187 177.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.445 ' O ' HG22 ' A' ' 97' ' ' VAL . 55.9 mtmt -67.53 -41.92 83.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.968 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.58 ' HB3' ' HE3' ' A' ' 57' ' ' LYS . 30.2 mt-10 -62.6 -49.05 76.74 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.784 0.326 . . . . 0.0 111.313 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.574 HD21 ' HA ' ' A' ' 57' ' ' LYS . 51.0 mt -66.78 -32.84 74.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.035 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.477 ' HA ' HD11 ' A' ' 99' ' ' LEU . 36.3 tt0 -61.66 -30.69 70.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.684 179.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 93' ' ' LYS . 99.1 t -62.0 -41.66 91.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.569 177.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.417 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 45.5 m-85 -67.15 -34.76 78.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.685 -179.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.477 HD11 ' HA ' ' A' ' 96' ' ' GLN . 97.5 mt -58.45 -37.24 75.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.231 179.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.44 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 16.0 mtt-85 -64.51 -45.27 87.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 109.831 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -66.18 -38.72 88.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.855 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.86 -43.21 93.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.441 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.83 -32.34 71.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.649 -178.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 98.2 mtt180 -59.37 -40.27 85.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.745 0.307 . . . . 0.0 111.026 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -69.36 -42.78 74.77 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.769 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.09 -46.6 86.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.283 0.563 . . . . 0.0 110.526 178.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.81 -28.07 33.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.736 -1.12 . . . . 0.0 112.104 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 94.9 mt -55.47 -44.38 76.39 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.737 0.303 . . . . 0.0 111.211 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -101.65 -1.6 32.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.548 0.69 . . . . 0.0 110.409 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -103.26 9.19 38.23 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.856 -179.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -62.36 -31.32 71.95 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.127 177.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -72.76 -56.39 5.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.967 -176.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 10.2 t60 54.99 67.72 0.97 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.382 177.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -83.14 -34.68 25.99 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 170.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 9.9 m170 . . . . . 0 C--O 1.247 0.947 0 CA-C-N 114.321 -1.309 . . . . 0.0 108.343 170.783 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.469 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 51.1 mm . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.731 0.3 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.447 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 11.6 p -59.07 -46.3 88.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.336 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -60.8 -44.44 96.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.998 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -73.26 -32.03 64.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.601 0.239 . . . . 0.0 111.321 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 50.9 mt -66.64 -34.02 76.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.085 177.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 5' ' ' THR . 63.1 mm-40 -51.64 -32.84 30.85 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.381 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.86 -49.53 75.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.432 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.43 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 24.3 ptm -76.06 -26.87 56.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.73 0.3 . . . . 0.0 111.175 -177.039 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.34 -32.89 74.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.381 174.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.14 -6.65 53.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.093 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -92.45 0.48 57.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.331 . . . . 0.0 110.966 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.81 22.71 57.45 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.725 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.6 m -93.55 75.08 4.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.563 0.696 . . . . 0.0 109.744 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -81.46 93.3 6.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.541 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.726 ' HB2' HD13 ' A' ' 21' ' ' LEU . 6.4 m-20 -111.9 168.19 9.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.261 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.3 ttt -69.16 -58.04 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.655 -176.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 20' ' ' LEU . 3.8 mm? -65.04 -27.6 68.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.48 -173.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.726 HD13 ' HB2' ' A' ' 18' ' ' ASN . 11.1 mp -61.92 -30.01 70.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.027 0.441 . . . . 0.0 110.736 178.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.5 mtt-85 -70.25 -43.05 71.35 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -69.75 -49.12 56.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.289 -175.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.1 m -56.33 -43.42 79.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.663 0.268 . . . . 0.0 111.418 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.16 -36.27 83.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.014 0.435 . . . . 0.0 111.011 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.4 -37.76 62.61 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.339 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -58.31 -41.32 84.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.73 0.3 . . . . 0.0 111.007 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 m -59.32 -39.75 84.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.34 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -64.72 -42.23 95.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.991 0.424 . . . . 0.0 110.399 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.14 -35.55 74.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.358 -176.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -68.53 -31.23 70.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.736 0.303 . . . . 0.0 110.878 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -84.59 6.84 22.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.459 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.416 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 24.6 mt-10 61.66 25.35 15.27 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.239 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.578 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 5.1 tp60 -96.26 47.48 1.08 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.989 0.9 . . . . 0.0 108.642 177.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.692 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 81.1 m-85 -55.98 -28.76 58.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.685 -176.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -58.73 -49.37 77.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.342 0.591 . . . . 0.0 110.479 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.566 ' HB3' ' HG3' ' A' ' 34' ' ' GLN . . . -74.19 -27.26 60.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.687 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.78 86.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.334 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.3 mt -51.24 -54.5 37.61 Favored Pre-proline 0 N--CA 1.468 0.44 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -174.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -63.53 -37.67 46.57 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 121.77 1.647 . . . . 0.0 112.314 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -70.98 -43.99 66.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.822 -176.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.77 -36.09 75.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.813 0.339 . . . . 0.0 110.607 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -63.74 -40.17 96.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.582 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.29 -39.94 92.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.629 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.88 -45.78 77.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.942 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.7 -26.02 67.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.868 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -67.28 -40.46 86.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.075 0.464 . . . . 0.0 110.25 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -82.04 -45.0 15.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.284 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.86 86.31 13.64 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 121.752 0.787 . . . . 0.0 111.36 -177.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -80.13 -3.81 12.87 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.855 2.37 . . . . 0.0 113.01 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.1 p -91.25 15.1 12.61 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -174.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.547 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 19.0 t80 -90.88 99.5 12.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.131 0.491 . . . . 0.0 110.428 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.643 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 7.7 p -52.06 -45.18 64.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.129 -0.942 . . . . 0.0 113.318 -176.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.547 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 21.2 t -58.63 -35.51 55.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.874 0.368 . . . . 0.0 110.719 -178.277 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.89 -38.01 89.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.026 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.643 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 8.5 m0 -60.08 -41.58 92.74 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.783 0.801 . . . . 0.0 109.284 178.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.888 ' HA ' HD21 ' A' ' 95' ' ' LEU . 58.4 tttm -65.22 -35.6 81.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.446 -1.252 . . . . 0.0 111.356 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 87.6 m95 -72.84 -37.76 67.33 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 121.21 -0.196 . . . . 0.0 110.929 176.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.75 -44.6 81.91 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.104 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.456 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -56.76 -44.27 91.77 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.044 176.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.483 ' HA ' ' HG2' ' A' ' 64' ' ' GLN . 43.9 mtpt -66.31 -26.49 67.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 111.373 177.12 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.692 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 33.3 m -66.62 -49.23 66.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.977 -177.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.5 -41.8 96.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.704 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.483 ' HG2' ' HA ' ' A' ' 61' ' ' LYS . 3.4 pt20 -69.08 -36.0 77.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.909 0.385 . . . . 0.0 110.57 -178.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.423 ' HA3' ' CE2' ' A' ' 35' ' ' PHE . . . -72.13 -34.59 61.35 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.902 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -63.07 -35.73 81.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.323 0.582 . . . . 0.0 109.75 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.25 25.89 5.11 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.426 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -114.08 99.99 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.102 0.477 . . . . 0.0 109.853 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.547 ' HG3' HD11 ' A' ' 102' ' ' LEU . 41.2 ttm105 -65.26 -38.64 90.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.398 -176.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.29 -45.98 74.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.922 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.95 -40.74 97.32 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.388 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.57 97.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.839 0.352 . . . . 0.0 110.663 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -56.12 -52.75 63.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.528 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -66.44 -34.8 78.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.152 -176.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.87 -50.04 73.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.45 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.58 ' CD1' HD22 ' A' ' 95' ' ' LEU . 11.1 m0 -66.85 -36.56 82.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.264 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -60.22 -38.38 83.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.996 0.427 . . . . 0.0 110.796 175.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 m -73.55 -43.86 58.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.926 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.04 -25.08 74.56 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 121.055 -0.593 . . . . 0.0 113.231 -176.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.1 tp -59.47 -53.22 60.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.219 0.533 . . . . 0.0 110.484 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.55 -29.79 70.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.294 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.51 88.76 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.541 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -67.97 -36.93 80.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.799 178.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.31 -46.37 90.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.028 174.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.7 t -64.51 -27.45 68.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.205 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.629 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 24.1 mmm180 -89.12 -8.29 54.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.31 . . . . 0.0 111.559 176.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.81 28.72 71.66 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.193 -0.527 . . . . 0.0 112.793 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.457 ' O ' HG23 ' A' ' 92' ' ' VAL . 7.0 t70 -101.61 86.54 2.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.455 0.645 . . . . 0.0 109.932 -178.238 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -59.7 -35.58 74.77 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.732 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.575 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 62.1 tt0 -57.99 -48.34 80.3 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.179 0.299 . . . . 0.0 110.672 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.2 t -68.8 -37.69 77.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.642 -176.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 88' ' ' ASP . 94.4 t -57.47 -50.7 76.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.079 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.516 ' O ' HG23 ' A' ' 97' ' ' VAL . 59.4 mtmt -67.94 -39.6 83.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.83 -178.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 25.4 mt-10 -59.09 -49.55 77.45 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.949 0.404 . . . . 0.0 111.119 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.888 HD21 ' HA ' ' A' ' 57' ' ' LYS . 60.9 mt -69.77 -33.75 72.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.83 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.699 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 28.8 tt0 -59.96 -42.19 93.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 93' ' ' LYS . 97.5 t -59.96 -45.53 95.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 120.954 0.406 . . . . 0.0 110.917 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -65.6 -38.61 89.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.589 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.513 HD13 ' HB2' ' A' ' 76' ' ' TRP . 53.1 tp -62.5 -32.75 73.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.145 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.699 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 1.1 mmp_? -71.14 -48.89 49.34 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 121.326 0.584 . . . . 0.0 109.884 178.26 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -57.49 -38.87 75.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.214 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.547 HD11 ' HG3' ' A' ' 69' ' ' ARG . 33.8 tp -64.45 -37.48 87.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.233 0.54 . . . . 0.0 110.509 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.41 -30.34 71.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.224 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 86.0 mtt-85 -65.12 -28.92 69.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.206 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -74.22 -39.58 63.0 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.005 0.431 . . . . 0.0 110.107 174.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -59.24 -39.97 84.47 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.761 0.791 . . . . 0.0 109.405 174.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.733 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.794 177.659 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.461 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 63.8 mt . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 121.047 0.451 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.3 t -59.1 -31.83 69.27 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.216 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -65.51 -46.75 78.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.007 0.432 . . . . 0.0 111.023 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 4' ' ' ILE . 7.3 ppt_? -73.3 -31.25 63.92 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.782 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.595 ' HB3' HD11 ' A' ' 25' ' ' LEU . 77.3 mt -64.46 -41.74 96.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.551 175.01 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -66.41 -33.88 76.7 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.322 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.89 -47.57 85.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.077 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 88.0 mtp -61.45 -36.8 81.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.619 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 16' ' ' THR . 31.8 tp -58.41 -46.77 85.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.049 175.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.47 -15.33 59.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.658 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -83.32 5.43 23.32 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.02 38.73 1.8 Allowed Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.838 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.442 ' O ' HD12 ' A' ' 12' ' ' LEU . 12.3 m -136.43 56.94 1.79 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.336 0.589 . . . . 0.0 109.486 173.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -68.33 82.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.07 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.456 ' HB3' ' HB3' ' A' ' 21' ' ' LEU . 25.0 t-20 -117.75 155.93 29.16 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.472 -171.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 23.3 ttt -81.4 -58.64 2.94 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.89 -175.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.6 tp -62.15 -34.71 76.9 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.954 0.407 . . . . 0.0 110.527 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.456 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . 3.3 tm? -59.75 -57.0 14.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.9 176.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.509 ' HA ' HD13 ' A' ' 25' ' ' LEU . 6.6 ptm180 -68.04 -24.54 65.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.61 0.243 . . . . 0.0 110.742 -176.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -66.07 -36.75 84.04 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.462 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.3 m -58.72 -41.54 86.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.456 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.595 HD11 ' HB3' ' A' ' 8' ' ' LEU . 7.8 mp -59.64 -37.5 78.84 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.476 177.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.69 -45.2 96.85 Favored Glycine 0 C--N 1.333 0.393 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.124 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 48.6 mtpt -61.81 -42.72 99.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.953 0.406 . . . . 0.0 110.36 176.282 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.0 m -59.08 -40.05 84.03 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.478 -177.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -62.77 -44.41 96.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.751 0.31 . . . . 0.0 110.429 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.04 -37.98 85.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.096 -177.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 27' ' ' LYS . 47.0 mt-10 -71.08 -26.07 62.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.201 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -97.11 18.99 13.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.352 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 68.51 21.1 8.24 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.581 0.705 . . . . 0.0 111.115 173.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.501 ' HG3' ' HB3' ' A' ' 37' ' ' ALA . 17.2 tp60 -97.18 46.1 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.509 ' HB3' HG23 ' A' ' 62' ' ' THR . 92.5 m-85 -50.85 -47.12 60.4 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.861 -1.063 . . . . 0.0 113.054 -170.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -60.99 -39.82 91.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.066 0.46 . . . . 0.0 111.331 -174.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.501 ' HB3' ' HG3' ' A' ' 34' ' ' GLN . . . -74.25 -27.98 61.01 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.809 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.77 -37.88 82.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.47 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.65 HD12 HE21 ' A' ' 66' ' ' GLN . 30.8 mt -55.9 -53.88 58.17 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -174.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.541 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 16.7 Cg_exo -67.65 -37.74 15.8 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 121.886 1.724 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -63.74 -38.84 92.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.599 -1.182 . . . . 0.0 110.474 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.503 HD23 HD23 ' A' ' 59' ' ' LEU . 35.1 tp -71.58 -36.65 70.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.587 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 57.2 mtt180 -60.45 -33.03 71.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.866 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.35 88.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.01 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.83 -42.27 73.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.025 0.44 . . . . 0.0 110.649 177.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.81 -26.28 68.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.028 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.96 -36.4 83.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.248 0.547 . . . . 0.0 110.493 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -80.91 -43.41 19.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.928 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -141.97 88.87 9.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.804 0.335 . . . . 0.0 110.851 -177.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.76 -7.47 19.61 Favored 'Trans proline' 0 CA--C 1.527 0.156 0 C-N-CA 122.611 2.207 . . . . 0.0 112.228 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.551 ' HB ' ' HD3' ' A' ' 86' ' ' ARG . 4.4 p -96.55 12.4 31.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.502 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.449 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 12.2 t80 -73.08 95.93 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.072 0.463 . . . . 0.0 109.829 178.1 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.598 ' HB3' HG21 ' A' ' 91' ' ' VAL . 5.7 m -53.15 -42.59 66.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.033 -0.985 . . . . 0.0 112.865 -173.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.449 ' HB ' ' CE1' ' A' ' 52' ' ' TYR . 74.4 t -61.08 -36.19 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.959 0.409 . . . . 0.0 110.828 -177.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.67 -32.18 71.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.482 -176.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.904 ' HH2' ' HG3' ' A' ' 86' ' ' ARG . 20.1 m0 -60.11 -43.37 95.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.449 0.643 . . . . 0.0 110.195 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.729 ' HA ' HD21 ' A' ' 95' ' ' LEU . 36.1 ttmt -64.16 -44.8 90.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.849 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -68.41 -35.94 78.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.43 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.503 HD23 HD23 ' A' ' 42' ' ' LEU . 1.2 tm? -59.38 -51.05 71.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.11 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.65 -40.5 98.84 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.538 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -59.0 -43.43 91.5 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.177 0.513 . . . . 0.0 110.874 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.509 HG23 ' HB3' ' A' ' 35' ' ' PHE . 19.4 m -69.52 -37.08 76.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.375 -175.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.7 mt -63.55 -33.94 76.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? -65.03 -43.71 91.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.09 -20.16 70.71 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.732 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.65 HE21 HD12 ' A' ' 39' ' ' LEU . 15.7 mm-40 -74.21 -23.53 59.21 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.707 0.289 . . . . 0.0 110.796 177.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.23 -5.74 33.98 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.098 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -82.67 89.19 6.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.587 0.708 . . . . 0.0 109.905 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -57.14 -44.72 83.63 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.978 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.61 -49.11 61.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 111.575 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.14 -40.97 97.91 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.872 -177.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.45 98.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.922 0.391 . . . . 0.0 111.259 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -66.49 -48.64 69.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.086 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -64.37 -34.42 78.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.186 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.18 -45.93 86.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.933 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.494 ' HB3' HD21 ' A' ' 99' ' ' LEU . 10.9 m0 -70.07 -36.19 74.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -60.8 -40.86 94.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.199 0.523 . . . . 0.0 110.177 175.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.2 t -70.88 -42.43 70.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.231 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.07 -30.9 79.07 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.388 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 80' ' ' LEU . 8.0 tp -62.34 -45.92 91.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.894 0.378 . . . . 0.0 110.327 178.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.7 -31.11 72.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.168 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.26 87.68 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 173.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.0 86.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.76 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.19 -50.8 72.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.448 174.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.5 m -59.39 -35.63 74.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.236 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.904 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 8.6 mmm180 -76.66 -16.4 59.55 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.15 9.56 60.61 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.318 -174.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.475 ' O ' HG23 ' A' ' 92' ' ' VAL . 5.3 m-20 -75.42 86.58 2.57 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.785 0.802 . . . . 0.0 110.58 -176.104 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -57.92 -44.16 86.67 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.307 -1.315 . . . . 0.0 112.739 -175.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.539 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 62.9 tt0 -63.31 -40.09 96.38 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.95 -175.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.598 HG21 ' HB3' ' A' ' 53' ' ' SER . 96.5 t -67.68 -37.86 79.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.437 -178.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 88' ' ' ASP . 90.7 t -58.36 -46.27 89.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.054 176.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.55 -38.35 90.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.651 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 35.7 mt-10 -69.4 -49.75 52.35 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.908 0.385 . . . . 0.0 111.036 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.729 HD21 ' HA ' ' A' ' 57' ' ' LYS . 26.6 mt -66.84 -32.0 72.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.093 -178.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.522 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 7.7 tt0 -58.2 -32.04 67.89 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.181 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 51.6 t -60.51 -38.76 79.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.05 0.452 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.41 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 98.0 m-85 -65.67 -38.85 90.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.008 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 76' ' ' TRP . 3.6 mm? -60.16 -38.65 83.83 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.88 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.554 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 38.0 mtt180 -67.41 -49.32 64.3 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-O 122.212 1.006 . . . . 0.0 109.935 -175.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -66.42 -43.39 85.85 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 113.618 -1.628 . . . . 0.0 110.963 -175.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.456 HD22 ' HZ3' ' A' ' 76' ' ' TRP . 43.4 tp -69.62 -39.33 77.26 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.044 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.82 -35.82 75.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.279 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 41.1 mtp85 -58.74 -41.69 87.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.083 0.468 . . . . 0.0 110.873 178.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -72.51 -42.17 65.11 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.915 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -71.24 -46.99 59.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.805 -176.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.631 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.301 -177.838 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.6 mm . . . . . 0 N--CA 1.449 -0.519 0 CA-C-O 120.976 0.417 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -52.83 56.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -174.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -61.23 -38.47 86.75 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.782 0.325 . . . . 0.0 111.754 -174.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -73.61 -42.75 61.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.304 -176.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.53 ' HB2' HD21 ' A' ' 25' ' ' LEU . 35.2 mt -68.34 -45.8 71.88 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.174 -0.211 . . . . 0.0 111.16 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -59.18 -35.06 72.91 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.553 0.216 . . . . 0.0 111.024 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.609 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -69.12 -50.25 49.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.309 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.4 ptm -72.94 -31.82 64.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.166 -176.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.536 HD13 HD12 ' A' ' 25' ' ' LEU . 9.4 tt -62.54 -44.51 96.18 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.31 -18.8 63.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.457 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 28.9 mm-40 -79.25 -8.7 59.24 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.864 0.364 . . . . 0.0 110.585 177.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.44 -6.97 24.64 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.922 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -85.08 70.38 10.9 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.12 0.486 . . . . 0.0 110.505 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.499 ' HB2' ' HG ' ' A' ' 12' ' ' LEU . 21.0 t70 -152.0 162.64 40.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.304 177.356 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -158.55 -58.96 0.07 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.238 -0.892 . . . . 0.0 108.917 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -158.21 -40.73 0.06 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.215 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.2 tt -53.96 -56.57 16.62 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.845 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 mp -67.09 -46.55 73.91 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.27 -0.172 . . . . 0.0 111.139 -174.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -55.67 -42.57 75.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.328 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.433 ' HE1' ' HB2' ' A' ' 55' ' ' ALA . 87.1 t80 -65.04 -44.76 88.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 110.357 176.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.4 m -62.73 -41.16 99.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.052 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.536 HD12 HD13 ' A' ' 12' ' ' LEU . 30.8 mt -63.42 -43.18 98.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.915 178.13 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.94 -45.4 95.18 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.464 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 87.5 tttt -61.7 -40.13 93.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.044 0.45 . . . . 0.0 110.488 176.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.5 m -64.72 -38.8 92.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.174 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -62.12 -39.69 93.42 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.321 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.94 -38.93 92.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.766 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 27' ' ' LYS . 51.2 mt-10 -69.05 -23.28 64.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.955 0.407 . . . . 0.0 110.811 177.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -93.48 8.61 39.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.391 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.409 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 33.1 tt0 62.6 27.14 16.06 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.729 0.776 . . . . 0.0 110.633 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -110.08 47.6 0.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.497 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 76.8 m-85 -53.21 -32.62 49.04 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 114.691 -1.141 . . . . 0.0 112.328 -172.1 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -55.48 -45.47 76.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.225 0.536 . . . . 0.0 110.819 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.65 -27.78 60.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.901 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.71 77.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.587 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 35' ' ' PHE . 94.0 mt -52.77 -54.28 45.13 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -173.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 18.3 Cg_endo -61.29 -42.56 34.07 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 121.994 1.796 . . . . 0.0 112.654 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -70.82 -36.66 73.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 -176.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.2 tp -70.74 -37.37 73.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.302 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -66.31 -39.44 89.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.485 177.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.73 -31.71 71.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.982 0.42 . . . . 0.0 110.851 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.68 -41.99 91.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.521 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 55' ' ' ALA . 72.1 mt -73.09 -25.62 60.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.485 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.0 -43.84 94.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.125 0.488 . . . . 0.0 109.753 176.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -82.07 -43.29 18.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.94 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -128.34 87.76 54.38 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.969 0.414 . . . . 0.0 111.161 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -71.02 -4.5 15.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.883 2.389 . . . . 0.0 112.07 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.401 ' HA ' ' HZ2' ' A' ' 56' ' ' TRP . 9.1 p -101.03 16.16 26.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.567 -176.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -87.37 89.28 7.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.006 0.431 . . . . 0.0 110.205 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.605 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 2.3 m -50.86 -41.46 58.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.821 -176.021 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.7 t -58.11 -39.17 71.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.949 0.404 . . . . 0.0 111.002 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.609 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -69.61 -28.76 66.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.432 -176.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.605 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 34.7 m0 -63.63 -49.03 74.88 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.207 0.527 . . . . 0.0 109.964 -178.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.985 ' HA ' HD21 ' A' ' 95' ' ' LEU . 84.5 tttt -67.64 -34.63 77.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.947 178.081 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -68.71 -27.67 66.16 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 84.3 mt -55.25 -51.56 66.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.018 0.437 . . . . 0.0 110.707 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.662 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -63.61 -41.58 99.06 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.572 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -58.91 -44.8 91.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.009 0.433 . . . . 0.0 110.706 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.1 m -65.0 -42.35 94.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.798 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.56 -31.28 69.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.657 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -67.34 -36.4 81.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.925 0.393 . . . . 0.0 110.537 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.15 -36.25 64.0 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.613 175.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -67.25 -38.38 85.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.817 0.341 . . . . 0.0 110.371 177.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.9 9.29 26.61 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.626 177.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -94.82 87.59 5.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.267 0.556 . . . . 0.0 110.244 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.578 ' HB2' HD11 ' A' ' 102' ' ' LEU . 13.2 ptt-85 -66.48 -33.94 76.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.356 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.32 -48.21 68.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.938 0.399 . . . . 0.0 110.546 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.38 -38.48 95.88 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.245 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.38 -42.96 99.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 110.456 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -58.9 -50.87 72.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.964 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -58.22 -43.84 87.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.879 177.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.49 -47.72 80.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.553 -177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.662 ' NE1' ' HA3' ' A' ' 60' ' ' GLY . 13.7 m0 -63.21 -39.62 95.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.209 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.21 -37.5 85.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.918 0.39 . . . . 0.0 110.596 175.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.1 m -71.01 -46.39 62.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.38 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.63 -30.38 74.73 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.669 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.7 tp -61.64 -53.25 58.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.119 0.485 . . . . 0.0 110.119 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.14 -31.68 72.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.061 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.99 -47.58 77.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.059 0.457 . . . . 0.0 109.774 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.564 ' HA ' ' CZ3' ' A' ' 56' ' ' TRP . . . -63.64 -43.28 97.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.866 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -59.74 -45.48 92.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.124 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 m -66.59 -27.79 68.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.618 ' HA ' ' NE ' ' A' ' 86' ' ' ARG . 5.1 mmp_? -96.47 -13.46 23.07 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.0 22.16 39.64 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.147 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.511 ' O ' HG23 ' A' ' 92' ' ' VAL . 34.0 m-20 -89.54 78.0 7.14 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.323 0.582 . . . . 0.0 110.103 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -60.54 -38.8 85.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.535 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -57.48 -44.84 85.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.431 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.534 HG21 ' HB3' ' A' ' 53' ' ' SER . 47.3 t -68.13 -38.5 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.632 -178.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 88' ' ' ASP . 99.2 t -57.91 -50.9 76.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.323 178.251 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.48 ' O ' HG23 ' A' ' 97' ' ' VAL . 53.7 mtmt -67.08 -36.55 82.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.818 -177.115 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -64.01 -49.5 72.17 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.75 0.31 . . . . 0.0 111.609 176.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.985 HD21 ' HA ' ' A' ' 57' ' ' LYS . 54.4 mt -68.5 -32.51 72.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.118 -178.124 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.484 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 62.5 tt0 -57.6 -40.6 79.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.709 176.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.527 ' O ' ' HG3' ' A' ' 101' ' ' ARG . 88.9 t -62.45 -43.59 98.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.014 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.42 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 61.2 m-85 -60.99 -39.73 90.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.338 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 70.5 mt -57.97 -37.93 75.1 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.103 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.497 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 26.6 mtp180 -69.14 -47.48 64.94 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.725 0.774 . . . . 0.0 109.91 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' A' ' 97' ' ' VAL . 52.4 mtp85 -59.47 -41.24 89.29 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.776 -179.119 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.578 HD11 ' HB2' ' A' ' 69' ' ' ARG . 50.5 tp -67.95 -36.75 80.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.727 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.09 -31.14 72.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.205 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 81.6 mtt-85 -56.66 -44.89 81.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.231 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -64.76 -40.3 95.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.417 0.627 . . . . 0.0 110.855 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -71.29 -44.65 64.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.404 -174.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.711 0 CA-C-N 115.133 -0.939 . . . . 0.0 111.764 179.556 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.481 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 63.9 mt . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 121.051 0.453 . . . . 0.0 110.597 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 p -60.8 -34.17 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.816 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.78 -47.91 84.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.012 0.434 . . . . 0.0 110.815 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 4' ' ' ILE . 18.2 ptp180 -73.75 -31.36 63.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.796 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 76.2 mt -63.22 -51.41 66.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.749 176.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -53.1 -40.13 63.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.079 0.466 . . . . 0.0 110.351 177.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.9 -49.27 68.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.652 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.532 ' HG3' HD22 ' A' ' 12' ' ' LEU . 24.2 ptm -72.44 -32.02 65.94 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.606 0.225 . . . . 0.0 111.606 -175.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.532 HD22 ' HG3' ' A' ' 11' ' ' MET . 4.2 mm? -73.43 -50.56 21.08 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.037 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.78 -21.61 66.51 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -173.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -98.03 16.54 20.78 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 122.204 -0.31 . . . . 0.0 111.234 -175.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.31 -58.35 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.524 -0.845 . . . . 0.0 112.051 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.7 m -140.01 86.49 2.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.906 0.384 . . . . 0.0 110.375 -177.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -72.06 -79.79 0.07 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 54.49 -162.95 0.13 Allowed 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.559 174.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -118.18 -33.32 4.44 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.1 mt -73.51 0.49 12.33 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.479 -0.782 . . . . 0.0 113.074 -171.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.8 mp -125.08 -44.27 1.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.122 0.487 . . . . 0.0 110.963 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -81.07 -7.57 59.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.713 -172.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -69.8 -32.66 71.23 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.683 0.278 . . . . 0.0 110.622 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.3 m -57.29 -33.78 68.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.489 -177.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.6 mp -58.55 -32.97 69.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.108 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.89 -37.78 86.08 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.026 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -61.02 -48.87 79.81 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.114 0.483 . . . . 0.0 109.86 173.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 m -57.64 -42.49 83.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.425 -176.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -60.39 -44.67 95.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.747 177.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.17 -39.28 71.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.076 -176.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -67.01 -31.91 72.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.88 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -88.14 13.91 10.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.656 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 68.45 20.5 8.5 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.498 171.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -103.94 71.67 1.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.586 0.708 . . . . 0.0 109.144 175.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.457 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 62.9 m-85 -66.7 -38.6 87.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.347 -177.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.01 -45.94 86.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.091 -176.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.72 -28.61 62.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.984 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.09 -37.69 72.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.521 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.46 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 89.0 mt -51.79 -55.09 33.21 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -173.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.46 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 64.6 Cg_endo -74.63 -26.55 11.6 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 121.474 1.45 . . . . 0.0 111.768 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -72.5 -45.88 57.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.479 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.2 tp -71.79 -43.43 65.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.114 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -63.75 -32.11 73.51 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.014 -0.275 . . . . 0.0 110.7 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.01 92.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.867 0.365 . . . . 0.0 110.438 175.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.73 88.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.722 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.545 HD21 ' HB3' ' A' ' 55' ' ' ALA . 55.0 mt -66.71 -26.02 66.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.325 177.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.39 -39.36 85.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.218 0.532 . . . . 0.0 109.93 176.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -77.88 -44.59 26.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.203 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -133.23 87.1 39.74 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 120.979 0.418 . . . . 0.0 110.265 -177.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.21 -3.74 14.22 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.741 2.294 . . . . 0.0 112.677 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.1 m -86.26 -11.5 52.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 -176.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.477 ' CZ ' ' HB ' ' A' ' 54' ' ' VAL . 13.8 t80 -74.32 94.27 2.5 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.539 0.685 . . . . 0.0 110.871 -178.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.597 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 4.9 p -60.72 -37.9 83.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.945 -1.025 . . . . 0.0 113.199 -175.122 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.477 ' HB ' ' CZ ' ' A' ' 52' ' ' TYR . 48.0 t -57.71 -36.4 54.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.827 0.346 . . . . 0.0 110.996 -177.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.545 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -67.96 -28.21 67.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.425 -177.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.597 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 30.8 m0 -59.27 -46.4 88.62 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.464 0.65 . . . . 0.0 109.585 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.794 ' HA ' HD21 ' A' ' 95' ' ' LEU . 81.5 tttt -66.0 -36.47 83.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.091 -0.958 . . . . 0.0 111.464 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -71.16 -37.61 72.21 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -56.95 -43.3 81.43 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 120.944 0.402 . . . . 0.0 110.811 -175.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.495 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -64.87 -34.87 91.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.408 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -62.72 -39.77 95.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 111.106 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.47 -32.42 66.23 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.856 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' A' ' 75' ' ' ALA . 34.1 mt -69.72 -34.85 74.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.711 0.291 . . . . 0.0 110.704 175.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -59.26 -36.52 75.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.393 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.29 -16.86 63.17 Favored Glycine 0 CA--C 1.52 0.358 0 CA-C-N 115.837 -0.619 . . . . 0.0 113.077 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -78.24 -15.12 59.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.672 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.25 -3.15 75.86 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.308 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -93.33 92.52 7.72 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.466 ' HB2' HD11 ' A' ' 102' ' ' LEU . 37.9 ptt180 -64.58 -31.35 72.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.882 -175.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.08 -50.41 55.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.733 0.301 . . . . 0.0 111.301 -177.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.21 -35.83 78.17 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.787 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.54 -51.16 71.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.256 . . . . 0.0 111.116 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.616 ' HB3' HD23 ' A' ' 102' ' ' LEU . 23.5 ptt180 -69.24 -33.99 74.12 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.083 -178.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -57.14 -38.99 74.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.607 0.241 . . . . 0.0 111.055 175.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -63.09 -41.48 99.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.004 0.431 . . . . 0.0 110.758 177.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.598 ' CE3' ' HA ' ' A' ' 73' ' ' ARG . 13.6 m0 -66.85 -39.61 87.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.577 178.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.38 -38.28 88.96 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.917 0.389 . . . . 0.0 110.758 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.9 m -68.5 -43.75 76.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.817 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.74 -28.27 73.68 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.958 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.34 -49.33 78.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.989 0.423 . . . . 0.0 110.171 177.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.27 -33.37 75.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.144 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.32 -41.73 96.68 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.3 -42.12 72.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.65 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -57.56 -45.84 84.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.811 176.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.5 t -58.3 -39.54 79.63 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.506 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -84.11 -13.53 52.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.73 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.3 24.7 60.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.923 -178.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.448 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.4 OUTLIER -91.97 82.61 5.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.668 0.747 . . . . 0.0 110.504 -176.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -58.22 -43.13 87.56 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.377 -1.283 . . . . 0.0 112.54 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -59.24 -40.07 84.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.711 0.291 . . . . 0.0 110.624 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.4 t -66.53 -40.78 87.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.989 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 88' ' ' ASP . 77.6 t -59.49 -45.87 93.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.363 176.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.441 ' O ' HG23 ' A' ' 97' ' ' VAL . 75.8 mmtt -60.71 -47.52 85.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.105 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.48 -45.9 87.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.801 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.794 HD21 ' HA ' ' A' ' 57' ' ' LYS . 84.6 mt -69.24 -37.68 78.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.368 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.61 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 53.7 mt-30 -60.29 -29.88 69.12 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 111.462 0.171 . . . . 0.0 111.462 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 93' ' ' LYS . 93.6 t -59.92 -41.44 85.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-O 120.877 0.37 . . . . 0.0 110.629 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -67.3 -39.03 85.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.575 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.85 -35.46 78.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.577 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.666 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 45.2 mmt-85 -69.7 -53.44 18.53 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 121.161 0.505 . . . . 0.0 110.581 -175.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -59.13 -43.17 91.96 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.952 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.616 HD23 ' HB3' ' A' ' 73' ' ' ARG . 37.6 tp -67.2 -36.01 80.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.126 0.488 . . . . 0.0 110.492 -178.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.41 -32.1 68.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.316 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.666 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 62.0 mtp85 -62.45 -41.07 98.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.596 0.236 . . . . 0.0 111.038 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -62.91 -40.0 96.24 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.015 0.435 . . . . 0.0 110.599 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -68.47 -43.22 77.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.5 177.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.684 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.778 -179.923 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.464 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 75.5 mt . . . . . 0 N--CA 1.45 -0.448 0 CA-C-O 121.142 0.496 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 p -62.81 -40.01 96.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.106 -177.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.429 ' HA ' ' HG2' ' A' ' 9' ' ' GLU . 21.6 mt-10 -63.22 -45.77 90.08 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -68.41 -32.57 72.72 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.566 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 84.5 mt -67.28 -49.93 62.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.769 177.246 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.439 ' HA ' HD23 ' A' ' 12' ' ' LEU . 10.1 pt-20 -66.11 -30.99 71.6 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 120.693 0.283 . . . . 0.0 110.914 -178.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.17 -35.1 71.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.876 0.369 . . . . 0.0 110.748 176.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.432 ' HE2' ' HA ' ' A' ' 8' ' ' LEU . 65.0 mtm -69.46 -35.77 75.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.587 177.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 9' ' ' GLU . 4.2 mm? -59.56 -37.75 79.29 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.26 -26.22 66.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.081 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -81.81 -6.01 58.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.811 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.84 -8.01 61.2 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.703 -0.76 . . . . 0.0 113.936 172.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.2 t -80.94 68.85 7.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.413 1.101 . . . . 0.0 110.135 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -81.07 108.43 14.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.204 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.511 HD21 HD23 ' A' ' 21' ' ' LEU . 10.4 p30 -125.63 174.26 8.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.193 0.52 . . . . 0.0 110.533 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.601 ' CE ' ' HB2' ' A' ' 49' ' ' ASP . 17.7 ttt -91.43 -25.36 19.37 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.026 -173.15 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.5 mt -82.66 -19.06 38.91 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -166.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.511 HD23 HD21 ' A' ' 18' ' ' ASN . 2.9 pp -79.85 -7.11 58.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.811 -0.555 . . . . 0.0 112.016 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 22' ' ' ARG . 57.8 mtt-85 -74.82 -38.13 62.14 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -172.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -69.72 -30.83 68.54 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.993 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.2 m -63.44 -35.97 82.18 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.67 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.19 -44.12 92.21 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.341 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.568 ' HA3' HD21 ' A' ' 42' ' ' LEU . . . -60.48 -36.46 91.32 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.487 -179.151 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -59.69 -38.77 82.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.75 0.309 . . . . 0.0 110.893 178.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.8 m -69.3 -36.22 76.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.886 0.374 . . . . 0.0 110.735 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -68.34 -41.09 81.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.278 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.39 -45.43 72.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.194 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -62.58 -32.47 73.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.044 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.7 12.71 24.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.2 -178.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 61.56 39.02 15.17 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.221 0.609 . . . . 0.0 112.328 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -111.84 46.29 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -53.14 -43.9 67.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.335 -174.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -55.5 -44.21 76.37 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.192 0.52 . . . . 0.0 111.32 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.54 -27.99 61.64 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.928 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.97 -37.95 79.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.521 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.3 mt -51.84 -54.37 41.0 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -174.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.23 -32.33 27.08 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 121.68 1.587 . . . . 0.0 112.349 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -71.64 -38.4 70.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.412 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.568 HD21 ' HA3' ' A' ' 26' ' ' GLY . 71.8 mt -71.12 -35.19 71.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.293 175.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -64.15 -31.54 72.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.98 177.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.05 85.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.673 174.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.79 -39.08 76.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.019 0.438 . . . . 0.0 110.155 175.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.85 -23.89 67.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.728 176.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -67.86 -29.97 69.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.128 0.489 . . . . 0.0 109.946 177.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -81.35 -43.54 18.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.756 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.601 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 13.2 t70 -122.85 139.59 31.62 Favored Pre-proline 0 C--N 1.329 -0.299 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.326 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.512 ' HD3' ' HA ' ' A' ' 49' ' ' ASP . 4.8 Cg_exo -79.18 -22.03 8.75 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.764 2.309 . . . . 0.0 113.412 -176.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.707 ' OG1' ' HA ' ' A' ' 82' ' ' ALA . 4.1 t -158.17 83.41 0.85 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.908 0.861 . . . . 0.0 111.537 -172.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.464 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 45.6 t80 -109.82 121.45 45.26 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.608 178.141 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.49 ' HB3' ' HA ' ' A' ' 83' ' ' ALA . 3.4 p -52.69 -51.99 57.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.69 -173.389 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.464 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 50.9 t -64.3 -40.27 88.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.459 -176.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.71 -48.21 75.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.357 -175.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -67.34 -34.76 78.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.206 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.679 ' HA ' HD21 ' A' ' 95' ' ' LEU . 79.6 tttt -61.79 -43.41 98.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.688 176.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 62.9 m95 -73.68 -33.03 64.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.073 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.54 -42.76 79.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.953 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.29 -44.66 96.35 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 121.16 -0.543 . . . . 0.0 112.204 176.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt -63.68 -36.36 83.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.055 0.455 . . . . 0.0 110.914 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.8 m -68.52 -44.57 74.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.109 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.548 HD12 ' HB2' ' A' ' 75' ' ' ALA . 38.2 mt -69.14 -30.88 69.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.684 0.278 . . . . 0.0 111.012 177.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -61.13 -46.4 90.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.027 174.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.66 -27.08 73.01 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.49 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -62.71 -33.85 75.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.018 0.437 . . . . 0.0 110.002 176.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.5 16.96 14.43 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.899 176.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -114.33 100.66 8.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.029 0.442 . . . . 0.0 110.305 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.98 -28.8 69.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.479 -176.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.34 -49.53 63.68 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.573 0.225 . . . . 0.0 110.523 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.6 -36.66 92.97 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.772 175.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.92 -45.3 93.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.43 0.157 . . . . 0.0 110.672 177.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -59.56 -48.09 82.99 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -55.71 -50.77 69.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.293 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.548 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -62.14 -45.94 91.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.018 -175.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.43 ' HE3' HD22 ' A' ' 102' ' ' LEU . 9.3 m0 -71.02 -39.84 72.12 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -176.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -64.99 -41.77 95.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.142 0.496 . . . . 0.0 110.551 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -73.64 -36.78 65.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.412 -178.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.52 -21.05 70.41 Favored Glycine 0 C--N 1.332 0.308 0 CA-C-N 115.839 -0.619 . . . . 0.0 113.753 -175.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.3 tp -58.08 -43.7 87.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.325 0.583 . . . . 0.0 110.005 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.56 -30.71 68.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.615 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.707 ' HA ' ' OG1' ' A' ' 51' ' ' THR . . . -67.19 -39.88 86.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.275 0.559 . . . . 0.0 110.367 178.151 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.49 ' HA ' ' HB3' ' A' ' 53' ' ' SER . . . -71.81 -37.01 70.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.474 177.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -66.78 -42.61 85.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.188 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.5 t -64.7 -36.9 85.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.523 ' HA ' ' HE ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -79.28 -9.5 59.59 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.183 177.401 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.51 33.78 87.46 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.852 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.471 ' O ' HG23 ' A' ' 92' ' ' VAL . 4.8 t70 -105.55 85.53 2.26 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.341 0.591 . . . . 0.0 110.254 -176.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -54.54 -33.06 59.42 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.556 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.614 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 44.8 tt0 -56.83 -48.44 78.01 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.143 -0.223 . . . . 0.0 110.484 176.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.416 HG23 ' OD1' ' A' ' 88' ' ' ASP . 52.7 t -68.65 -36.9 76.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.419 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 88' ' ' ASP . 62.1 t -57.46 -50.63 76.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.354 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.494 ' O ' HG23 ' A' ' 97' ' ' VAL . 68.7 mttm -66.29 -37.51 85.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.788 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 52.9 mt-10 -60.95 -49.13 78.7 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.985 0.421 . . . . 0.0 110.539 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.679 HD21 ' HA ' ' A' ' 57' ' ' LYS . 75.2 mt -67.34 -32.69 73.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.685 178.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -59.15 -43.32 92.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.354 176.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 93' ' ' LYS . 97.9 t -62.59 -41.14 90.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -62.94 -37.02 85.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.965 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.3 -37.26 82.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.974 0.416 . . . . 0.0 110.993 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -73.72 -43.4 59.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.446 0.641 . . . . 0.0 109.818 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -56.59 -45.58 81.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.055 175.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.43 HD22 ' HE3' ' A' ' 76' ' ' TRP . 54.3 tp -67.57 -35.13 78.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.361 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.27 -32.52 62.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.58 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -56.59 -45.74 81.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.216 0.532 . . . . 0.0 110.403 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -72.51 -39.24 67.77 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.277 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -71.53 -47.69 53.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.49 -177.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.667 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.655 -178.147 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.454 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 63.7 mt . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.879 0.371 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.4 p -56.98 -41.59 78.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.726 -177.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.9 -41.89 86.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.424 -173.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -74.05 -32.53 63.35 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.219 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 86.3 mt -64.7 -52.8 55.25 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.182 -0.207 . . . . 0.0 111.452 -178.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.25 -32.36 73.98 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 111.079 -177.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.28 99.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.187 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.415 ' HB2' ' HE3' ' A' ' 11' ' ' MET . 73.4 mtm -63.77 -45.23 90.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.464 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.882 ' HG ' ' HA ' ' A' ' 17' ' ' ASP . 9.6 mp -59.54 -38.72 81.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.973 0.416 . . . . 0.0 110.595 178.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.6 -18.84 62.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.535 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -94.16 2.4 55.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.986 0.422 . . . . 0.0 111.298 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.33 4.36 50.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.413 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -99.77 55.47 0.95 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.764 0.792 . . . . 0.0 109.183 176.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.882 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 16.8 t70 -71.76 -70.37 0.33 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.56 -174.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.447 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 48.3 m-80 67.36 173.28 0.26 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.267 0.556 . . . . 0.0 111.788 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -93.73 -49.98 5.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.069 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 20' ' ' LEU . 2.9 tm? -62.84 -33.96 76.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.591 -176.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.6 tp -71.86 -32.14 67.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.512 -177.07 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.615 HH11 ' HB1' ' A' ' 44' ' ' ALA . 95.3 mtt180 -61.82 -43.94 97.84 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.145 0.498 . . . . 0.0 110.126 174.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -64.97 -36.78 85.51 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.807 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.2 m -58.43 -35.61 72.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.797 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.9 mt -69.94 -45.54 67.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.814 175.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.94 -47.29 91.97 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 121.077 -0.582 . . . . 0.0 113.049 -175.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -64.62 -36.77 85.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.749 0.309 . . . . 0.0 111.011 -178.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.1 m -69.48 -40.67 76.92 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.87 0.367 . . . . 0.0 111.132 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -62.5 -40.12 95.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.677 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.72 -35.45 79.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.157 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.57 -23.55 66.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -101.98 13.42 34.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.404 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 39.9 tt0 67.58 15.11 9.73 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.726 0.774 . . . . 0.0 110.692 179.109 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -89.72 45.64 1.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.918 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.561 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 88.4 m-85 -55.61 -31.28 62.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.335 -176.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -60.68 -46.97 88.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.657 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.6 -27.95 60.69 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.105 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.61 74.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.415 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 35' ' ' PHE . 48.0 mt -49.81 -54.34 33.03 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -174.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 20.6 Cg_endo -63.08 -40.21 35.04 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 121.837 1.691 . . . . 0.0 112.392 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -71.44 -38.49 71.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.069 -177.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.6 tp -71.11 -42.31 69.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.095 0.474 . . . . 0.0 110.27 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -62.77 -43.97 97.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.487 -178.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.615 ' HB1' HH11 ' A' ' 22' ' ' ARG . . . -64.3 -33.0 74.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.693 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.32 -47.67 63.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.059 0.457 . . . . 0.0 110.793 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 55' ' ' ALA . 66.4 mt -69.53 -25.21 63.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.673 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.89 -42.08 79.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.267 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -82.33 -43.62 17.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.629 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -135.08 88.81 25.52 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 120.889 0.375 . . . . 0.0 111.04 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.21 -4.1 14.58 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.714 2.276 . . . . 0.0 112.416 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.8 p -96.0 23.25 6.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.025 -176.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.474 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 18.2 t80 -86.36 98.27 10.89 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 177.105 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.642 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 12.9 m -48.98 -43.73 40.29 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -173.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.474 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 41.3 t -61.72 -36.29 72.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.912 0.387 . . . . 0.0 110.833 -177.023 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.494 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -70.17 -28.95 65.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.549 -176.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.642 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 31.2 m0 -58.55 -47.97 82.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.06 0.457 . . . . 0.0 110.324 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.631 ' HD2' ' HE2' ' A' ' 98' ' ' PHE . 6.8 ttpm? -67.21 -34.82 78.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.215 178.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -66.14 -33.06 74.93 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.307 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 71.3 mt -55.27 -51.71 65.76 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.076 0.235 . . . . 0.0 111.253 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.432 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -61.56 -40.4 98.66 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.443 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -69.51 -40.95 76.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.618 0.247 . . . . 0.0 111.181 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.561 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 23.6 m -67.73 -42.24 82.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.787 -179.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 59' ' ' LEU . 82.4 mt -67.38 -34.94 78.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.446 177.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -64.96 -42.47 94.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.401 176.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.89 -35.11 85.77 Favored Glycine 0 C--O 1.228 -0.266 0 C-N-CA 121.066 -0.587 . . . . 0.0 111.998 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -49.48 66.16 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 173.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.32 9.56 2.07 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.309 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.409 ' HB2' ' HB3' ' A' ' 63' ' ' LEU . 11.5 m-20 -82.98 86.63 6.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.565 0.222 . . . . 0.0 110.833 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.635 ' HD3' ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -65.39 -37.22 86.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.673 176.744 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.635 ' N ' ' HD3' ' A' ' 69' ' ' ARG . . . -69.16 -47.64 64.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.517 177.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.99 -43.34 99.31 Favored Glycine 0 C--N 1.33 0.229 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.866 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.59 -47.35 82.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.792 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.654 ' HG3' HD11 ' A' ' 99' ' ' LEU . 78.6 ttt180 -62.7 -45.57 92.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.678 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -57.32 -46.15 83.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.913 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.21 98.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.551 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.432 ' NE1' ' HA3' ' A' ' 60' ' ' GLY . 27.0 m0 -71.89 -43.51 65.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.334 -176.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -67.32 -42.96 82.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.72 0.295 . . . . 0.0 111.256 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.4 t -73.47 -39.03 65.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -177.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.99 -14.46 76.07 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.706 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.1 tp -60.92 -49.12 78.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.165 0.507 . . . . 0.0 110.481 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.94 -32.64 73.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.211 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.92 -45.89 83.96 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.619 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -65.28 -40.13 93.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.752 178.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -58.95 -47.29 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 174.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.7 t -58.25 -41.55 84.49 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.806 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.436 ' HD2' ' HH2' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -77.58 -14.69 59.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.46 22.81 66.56 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.949 -176.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.523 ' O ' HG23 ' A' ' 92' ' ' VAL . 3.6 m-20 -82.98 81.58 8.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.343 0.592 . . . . 0.0 110.372 -178.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -56.92 -43.79 81.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.995 -1.002 . . . . 0.0 112.318 -177.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -62.17 -45.11 94.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.739 0.304 . . . . 0.0 110.269 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.3 t -65.89 -39.96 86.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.872 -175.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 88' ' ' ASP . 98.1 t -58.67 -51.78 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.094 0.473 . . . . 0.0 110.27 177.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.548 ' O ' HG23 ' A' ' 97' ' ' VAL . 56.9 mtmt -67.57 -36.56 81.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.57 -176.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -58.8 -49.24 78.43 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 121.129 0.49 . . . . 0.0 110.434 175.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.477 HD21 ' HA ' ' A' ' 57' ' ' LYS . 83.8 mt -61.64 -44.68 96.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.245 -178.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.556 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 98.4 mt-30 -56.96 -41.56 78.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 93' ' ' LYS . 79.8 t -61.13 -51.23 75.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.522 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.631 ' HE2' ' HD2' ' A' ' 57' ' ' LYS . 61.4 m-85 -65.62 -36.4 83.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.743 0.306 . . . . 0.0 111.283 -175.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.654 HD11 ' HG3' ' A' ' 73' ' ' ARG . 42.2 tp -59.15 -40.48 85.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.31 -178.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 7.4 mtp180 -75.93 -43.8 43.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.247 0.546 . . . . 0.0 110.365 -177.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -56.62 -37.89 71.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.01 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 63.5 tp -66.88 -42.7 85.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.996 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.99 -32.58 69.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.626 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -60.21 -47.29 86.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.971 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -73.37 -35.27 65.92 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.701 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.56 -47.47 54.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.896 0.379 . . . . 0.0 111.372 -177.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.18 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.441 HG21 ' CG2' ' A' ' 24' ' ' THR . 41.2 mm . . . . . 0 CA--C 1.535 0.386 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.407 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 28.3 m -62.22 -53.19 58.82 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -171.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.03 -41.48 96.65 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -175.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 7' ' ' ARG . 11.3 ptm85 -73.08 -32.03 64.75 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.536 -176.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 8' ' ' LEU . 28.4 mt -67.92 -38.22 82.64 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.702 174.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 5' ' ' THR . 39.9 mt-10 -60.2 -30.3 69.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.467 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.94 -30.78 68.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.063 0.459 . . . . 0.0 110.767 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 63.4 mtt -75.39 -31.6 60.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.264 0.554 . . . . 0.0 109.904 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 12' ' ' LEU . 4.3 mm? -67.05 -28.36 68.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.454 177.242 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.58 -19.44 65.92 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.664 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -95.96 -6.73 38.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.473 175.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.51 42.91 79.76 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.407 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.8 m -149.79 99.12 2.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.075 0.464 . . . . 0.0 111.329 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -127.56 175.36 8.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.834 174.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.64 177.18 7.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.865 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -62.01 -42.6 99.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.556 -176.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tt -55.29 -43.44 74.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.14 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.14 -43.92 93.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.686 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.435 ' HA ' ' HD3' ' A' ' 22' ' ' ARG . 20.4 mmt180 -58.91 -44.51 91.28 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.78 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -65.94 -44.52 84.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.522 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.441 ' CG2' HG21 ' A' ' 4' ' ' ILE . 29.3 m -62.92 -37.66 87.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.086 -178.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.3 mt -60.86 -49.66 76.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.55 177.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.7 -38.91 96.23 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.689 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -56.74 -42.03 78.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.044 0.45 . . . . 0.0 110.306 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.4 m -66.75 -41.73 87.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.124 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -65.08 -41.28 95.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.653 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.31 83.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.033 0.444 . . . . 0.0 110.592 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.06 -22.34 61.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.392 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -87.08 3.56 45.68 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 67.06 21.07 10.28 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.764 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -104.54 73.64 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 175.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -65.65 -34.84 79.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.866 -174.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -56.72 -45.27 81.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.346 0.594 . . . . 0.0 111.183 -176.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.11 -26.87 61.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.023 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.74 -37.69 85.15 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.362 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mp -49.62 -55.22 24.19 Favored Pre-proline 0 N--CA 1.474 0.769 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -172.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -63.63 -36.4 53.09 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.631 1.554 . . . . 0.0 112.34 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -71.7 -41.57 68.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.041 -176.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.456 ' HB3' HD21 ' A' ' 59' ' ' LEU . 95.9 mt -69.4 -38.02 77.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.745 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -62.68 -40.33 96.78 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.67 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.68 88.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.211 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.17 -47.61 64.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.061 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.434 HD21 ' HB3' ' A' ' 55' ' ' ALA . 66.7 mt -64.36 -25.36 68.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.374 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -60.06 -36.44 77.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.502 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -76.32 -44.48 36.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.333 178.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -145.4 88.62 6.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.979 0.419 . . . . 0.0 111.335 -172.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -69.35 -7.96 22.32 Favored 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 123.169 2.579 . . . . 0.0 113.621 -175.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.425 ' HA ' ' HZ2' ' A' ' 56' ' ' TRP . 10.9 t -91.32 19.21 6.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.118 0.485 . . . . 0.0 111.321 -177.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -76.96 87.95 3.5 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.587 ' HB3' HG21 ' A' ' 91' ' ' VAL . 16.9 m -50.07 -40.22 44.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.682 -175.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.422 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 43.3 t -59.41 -37.9 72.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.99 0.424 . . . . 0.0 111.068 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.434 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -72.13 -31.05 65.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.752 -174.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.521 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 37.6 m0 -56.74 -48.24 78.23 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.254 0.55 . . . . 0.0 110.495 -177.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.664 ' HA ' HD21 ' A' ' 95' ' ' LEU . 16.8 ttpt -66.17 -38.74 88.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.609 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.422 ' HD1' ' O ' ' A' ' 54' ' ' VAL . 73.8 m95 -75.28 -41.81 56.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.456 HD21 ' HB3' ' A' ' 42' ' ' LEU . 3.4 mm? -56.97 -47.51 80.56 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.963 0.411 . . . . 0.0 111.079 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.04 -40.59 97.24 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.396 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 64' ' ' GLN . 18.4 ttpp -71.08 -26.22 62.96 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 121.185 0.517 . . . . 0.0 110.471 -179.155 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.2 m -70.47 -32.93 70.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.126 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.2 mt -69.27 -38.07 78.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.11 0.481 . . . . 0.0 109.803 174.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.4 ' HB3' ' O ' ' A' ' 61' ' ' LYS . 29.1 tt0 -56.93 -43.2 81.22 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.663 176.119 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.2 -11.35 55.37 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.689 -0.687 . . . . 0.0 113.38 -177.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -91.61 -7.51 49.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.838 0.351 . . . . 0.0 110.942 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.36 -17.3 51.43 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.311 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -87.77 80.17 7.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.464 0.65 . . . . 0.0 110.477 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.527 ' HB2' HD11 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -67.21 -29.41 69.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.681 179.756 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.407 ' N ' ' HD2' ' A' ' 69' ' ' ARG . . . -67.25 -46.68 72.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 110.817 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.05 -31.2 77.19 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.415 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.01 -51.03 66.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.591 -0.305 . . . . 0.0 111.255 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.56 ' HD3' HD12 ' A' ' 102' ' ' LEU . 48.1 ptt85 -67.16 -33.63 75.82 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.029 -178.143 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -61.64 -39.8 92.62 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.012 0.435 . . . . 0.0 110.324 175.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.77 91.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.5 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.516 ' CD1' HD22 ' A' ' 95' ' ' LEU . 19.4 m0 -67.28 -36.23 81.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.579 178.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -59.43 -43.59 93.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.014 174.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.4 m -73.28 -39.16 65.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.18 -27.72 73.55 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.1 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.54 -52.17 66.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.227 0.537 . . . . 0.0 110.114 177.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.29 -32.16 72.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.026 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.52 -48.25 78.31 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.405 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -62.47 -43.53 98.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.725 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.436 ' OE1' HG21 ' A' ' 92' ' ' VAL . 14.2 mm100 -58.6 -48.32 81.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.083 176.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.2 t -64.47 -39.34 93.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.413 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -84.23 -13.58 52.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.969 0.414 . . . . 0.0 111.039 -175.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.85 36.2 8.63 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.096 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -114.23 91.55 3.67 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.194 0.521 . . . . 0.0 109.668 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -65.28 -37.52 87.42 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.17 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.502 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 48.5 tt0 -56.39 -47.51 78.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.111 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.587 HG21 ' HB3' ' A' ' 53' ' ' SER . 60.2 t -60.68 -39.35 81.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.956 0.408 . . . . 0.0 110.103 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.551 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 89.3 t -58.73 -49.99 80.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.373 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -66.69 -36.51 82.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.466 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 40.9 mt-10 -61.91 -49.37 76.47 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.007 0.432 . . . . 0.0 110.192 176.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.664 HD21 ' HA ' ' A' ' 57' ' ' LYS . 75.9 mt -66.36 -32.79 74.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.079 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.619 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 76.2 mm-40 -56.36 -36.92 69.36 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.693 -0.23 . . . . 0.0 110.745 176.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.24 -45.31 98.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.935 0.398 . . . . 0.0 110.296 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -64.69 -35.84 82.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.62 178.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.8 -37.9 83.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.516 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 7.1 mmp_? -69.88 -49.43 52.31 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.496 0.665 . . . . 0.0 109.718 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -56.84 -46.5 81.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.072 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.56 HD12 ' HD3' ' A' ' 73' ' ' ARG . 0.3 OUTLIER -67.6 -38.84 84.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.682 -178.909 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.0 83.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.739 -177.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -65.19 -31.93 73.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.663 0.268 . . . . 0.0 110.914 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -70.0 -47.0 63.91 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.103 0.478 . . . . 0.0 110.62 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -71.49 -34.53 70.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.482 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.348 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.358 -179.304 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.479 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 60.5 mt . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 121.372 0.606 . . . . 0.0 109.78 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.45 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 16.2 p -59.73 -39.1 83.6 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.234 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.36 -42.17 95.21 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -176.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 4' ' ' ILE . 19.1 ptp180 -73.56 -32.7 64.31 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.589 178.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 96.7 mt -65.67 -48.06 73.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.477 177.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 5' ' ' THR . 9.5 mm-40 -53.07 -37.1 61.35 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.706 178.13 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.41 -49.75 72.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.084 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 72.3 mtm -62.15 -31.83 72.37 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.779 0.323 . . . . 0.0 111.446 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.657 ' HG ' ' HB2' ' A' ' 17' ' ' ASP . 10.0 mp -63.16 -33.63 75.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.709 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.01 -22.41 64.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.668 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -77.46 -2.22 34.25 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.815 0.34 . . . . 0.0 110.76 176.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.7 10.49 52.88 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.348 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -95.41 39.64 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.708 0.766 . . . . 0.0 110.426 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.657 ' HB2' ' HG ' ' A' ' 12' ' ' LEU . 10.7 t0 -109.35 114.34 27.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.274 178.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -114.95 -68.2 0.94 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.146 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -170.78 -44.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.723 HD22 ' HE2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -59.65 -45.88 90.68 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.243 -174.489 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 21' ' ' LEU . 6.1 mp -73.68 -22.42 59.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.066 0.46 . . . . 0.0 110.592 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.447 ' HD3' ' OD1' ' A' ' 17' ' ' ASP . 20.5 ttp180 -77.57 -45.57 24.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.771 -170.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.723 ' HE2' HD22 ' A' ' 20' ' ' LEU . 25.5 p90 -70.2 -31.66 69.21 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.075 177.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.5 m -58.08 -35.51 71.5 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.755 177.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 8' ' ' LEU . 93.7 mt -61.88 -49.48 76.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.318 175.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.605 ' HA3' ' HG ' ' A' ' 42' ' ' LEU . . . -59.5 -42.12 97.48 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.321 -178.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -56.59 -48.91 76.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.074 0.464 . . . . 0.0 110.567 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 14.9 m -69.36 -40.34 77.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.593 -175.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -62.97 -41.5 99.56 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 121.178 -0.209 . . . . 0.0 110.843 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.28 -45.35 84.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.167 0.508 . . . . 0.0 110.579 -178.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -67.92 -22.47 65.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.979 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.485 ' HB2' ' O ' ' A' ' 28' ' ' THR . 0.7 OUTLIER -92.5 10.94 28.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.901 -177.489 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 67.32 26.06 8.6 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.769 0.795 . . . . 0.0 110.68 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -110.0 46.1 1.05 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 175.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -50.33 -43.25 53.89 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.649 -172.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.7 -38.26 90.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.138 0.494 . . . . 0.0 110.837 -176.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.29 -27.71 61.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.968 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.65 -37.99 80.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.406 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.72 HD11 ' HG3' ' A' ' 66' ' ' GLN . 98.3 mt -51.96 -53.65 49.21 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 -172.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 14.7 Cg_endo -58.44 -42.16 58.02 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 122.097 1.865 . . . . 0.0 112.738 -179.143 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -68.48 -42.33 78.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.578 0.228 . . . . 0.0 111.013 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.605 ' HG ' ' HA3' ' A' ' 26' ' ' GLY . 81.2 mt -66.61 -42.25 87.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.55 178.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 43' ' ' ARG . 19.9 ttt180 -65.23 -41.99 93.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.415 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.63 -32.8 74.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.901 0.381 . . . . 0.0 110.946 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.38 -47.42 82.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.851 0.357 . . . . 0.0 110.46 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.441 HD21 ' HB3' ' A' ' 55' ' ' ALA . 82.7 mt -71.27 -25.51 62.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.772 178.01 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.33 -38.62 84.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.15 0.5 . . . . 0.0 110.446 176.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.445 ' HB2' ' NH2' ' A' ' 22' ' ' ARG . 75.7 t80 -80.79 -44.0 19.24 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.885 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -145.7 89.67 6.13 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 120.885 0.374 . . . . 0.0 110.299 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -66.66 -5.2 12.49 Favored 'Trans proline' 0 N--CA 1.472 0.255 0 C-N-CA 123.252 2.634 . . . . 0.0 113.547 -173.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.5 m -98.95 55.36 1.02 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.329 0.585 . . . . 0.0 110.693 -177.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.422 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 11.0 t80 -121.93 90.58 3.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.541 173.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.596 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 3.0 m -50.55 -34.36 25.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.849 -1.069 . . . . 0.0 113.403 -173.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.422 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 42.3 t -62.6 -38.71 82.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.881 0.372 . . . . 0.0 110.935 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.441 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -72.78 -28.26 62.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.753 -175.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.596 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 39.9 m0 -59.97 -49.85 76.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.959 0.409 . . . . 0.0 110.559 -177.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.477 ' HB3' HD21 ' A' ' 95' ' ' LEU . 9.9 pttp -67.78 -33.03 74.03 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 178.476 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.689 ' CE3' ' HD3' ' A' ' 61' ' ' LYS . 41.1 m95 -58.38 -45.83 87.54 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 110.681 -0.118 . . . . 0.0 110.681 176.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.1 mt -55.61 -49.75 71.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.416 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.03 -47.61 89.93 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 121.158 -0.544 . . . . 0.0 113.166 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.689 ' HD3' ' CE3' ' A' ' 58' ' ' TRP . 14.7 ptmm? -69.95 -24.79 63.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.89 0.376 . . . . 0.0 110.606 -177.088 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.2 m -74.91 -37.83 61.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.125 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.72 -31.28 72.19 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -178.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -62.13 -47.68 83.5 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.16 -16.04 79.28 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.128 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.72 ' HG3' HD11 ' A' ' 39' ' ' LEU . 26.0 tm0? -71.91 -26.86 62.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.132 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.76 -20.88 5.1 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.418 176.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -97.25 83.68 3.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.283 0.563 . . . . 0.0 110.418 -175.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.462 ' H ' ' HG2' ' A' ' 69' ' ' ARG . 2.9 ptm180 -65.33 -41.28 94.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.467 -178.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.39 -36.69 79.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.849 0.357 . . . . 0.0 110.568 176.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.86 -36.08 91.68 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.106 177.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.11 -49.19 77.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 110.418 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.471 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 54.0 ttp85 -57.9 -48.27 80.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.446 177.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -60.64 -38.99 86.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.251 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.83 95.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.57 ' CD1' HD22 ' A' ' 95' ' ' LEU . 13.3 m0 -66.62 -35.95 81.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.514 178.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 73' ' ' ARG . 46.3 mt-10 -61.01 -42.17 97.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.15 0.5 . . . . 0.0 110.119 176.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.6 t -68.35 -46.28 70.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.564 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.39 -28.26 73.63 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.387 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.443 HD11 HG13 ' A' ' 92' ' ' VAL . 12.9 tp -62.1 -53.47 54.99 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 120.668 0.271 . . . . 0.0 110.277 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.07 -33.16 71.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.913 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.24 -43.49 91.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.158 0.504 . . . . 0.0 109.9 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.561 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -69.27 -38.56 78.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.657 178.11 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -61.9 -45.73 92.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.512 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 t -61.52 -39.84 92.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.041 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.48 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 0.1 OUTLIER -76.64 -15.18 59.88 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.37 179.618 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.35 21.56 75.13 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.268 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.433 ' OD2' ' HB3' ' A' ' 86' ' ' ARG . 29.3 m-20 -85.61 80.03 9.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.284 0.564 . . . . 0.0 110.131 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -56.52 -39.59 73.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.388 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.447 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 43.7 tt0 -56.13 -47.02 78.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.077 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.57 HG21 ' HB3' ' A' ' 53' ' ' SER . 58.3 t -69.05 -37.66 77.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.074 -176.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.443 HG13 HD11 ' A' ' 80' ' ' LEU . 96.9 t -58.17 -48.71 83.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.276 176.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.446 ' O ' HG23 ' A' ' 97' ' ' VAL . 74.9 mmtt -61.8 -42.23 98.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.36 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 45.8 mt-10 -58.84 -48.32 81.76 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.876 0.369 . . . . 0.0 110.69 177.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.57 HD22 ' CD1' ' A' ' 76' ' ' TRP . 81.3 mt -66.74 -37.18 84.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.396 -178.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.681 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 13.9 mm100 -57.16 -39.92 76.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.2 178.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 93' ' ' LYS . 74.1 t -60.77 -46.68 95.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 120.666 0.269 . . . . 0.0 110.655 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -66.06 -41.95 90.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.004 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' A' ' 76' ' ' TRP . 67.4 mt -59.22 -34.68 72.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.713 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.681 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 57.5 mtm180 -69.09 -47.56 64.91 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 121.763 0.792 . . . . 0.0 110.068 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 101' ' ' ARG . 21.7 ttt180 -67.02 -37.27 83.83 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.306 -1.315 . . . . 0.0 111.145 -178.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.81 -40.65 95.56 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.42 -31.89 68.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.974 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 57.9 mtp180 -67.09 -28.93 68.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -75.2 -40.8 58.98 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.048 0.452 . . . . 0.0 110.124 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -59.99 -43.54 95.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.099 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.249 179.899 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.455 ' O ' HD23 ' A' ' 8' ' ' LEU . 50.3 mm . . . . . 0 N--CA 1.462 0.171 0 CA-C-O 120.88 0.371 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.79 -42.65 79.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.859 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -57.14 -50.76 71.82 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -74.2 -32.8 63.2 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.038 -176.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.506 HD12 ' HB2' ' A' ' 21' ' ' LEU . 4.4 mm? -66.19 -45.47 80.72 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.006 175.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.62 -33.0 74.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.474 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.65 -49.61 62.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.357 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.9 ptm -71.02 -26.09 62.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.963 0.411 . . . . 0.0 110.831 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.9 tp -59.6 -38.26 80.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.652 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.09 -34.27 70.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.301 -0.863 . . . . 0.0 113.03 -173.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -88.29 14.53 9.27 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.696 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.47 50.24 2.41 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.997 175.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.511 ' O ' HD21 ' A' ' 21' ' ' LEU . 6.9 m -113.85 75.96 0.96 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 173.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -112.46 104.14 12.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.795 -171.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.573 ' OD1' ' HG ' ' A' ' 21' ' ' LEU . 31.3 p30 -148.38 174.08 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.705 178.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.538 ' HG3' ' HB3' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -77.61 -20.42 53.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.941 -177.112 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 tt -63.98 -57.05 10.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.475 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.573 ' HG ' ' OD1' ' A' ' 18' ' ' ASN . 3.0 pp -73.64 -21.85 60.16 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.449 -177.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 18' ' ' ASN . 70.0 mtt180 -70.48 -37.64 74.28 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.01 174.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -68.93 -46.51 68.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.074 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.555 HG22 ' HA ' ' A' ' 21' ' ' LEU . 13.0 t -60.45 -34.19 73.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.657 0.265 . . . . 0.0 111.026 -177.157 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.9 mt -71.11 -46.78 61.04 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.473 ' HA2' ' CD2' ' A' ' 29' ' ' TYR . . . -61.75 -42.1 99.7 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.61 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -58.79 -38.67 79.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.705 0.288 . . . . 0.0 110.683 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.1 m -65.48 -35.28 80.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.685 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.624 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 18.9 m-85 -67.95 -42.47 80.9 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 175.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.88 -38.8 89.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.879 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.9 -23.64 66.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.078 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -101.32 14.75 30.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.954 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.423 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 29.9 tt0 65.53 22.53 11.8 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.689 176.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.624 ' HB2' ' HB3' ' A' ' 29' ' ' TYR . 47.9 mt-30 -87.57 45.82 1.31 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.302 0.573 . . . . 0.0 109.478 176.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.52 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 79.9 m-85 -59.97 -31.9 70.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.4 -172.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -59.74 -42.97 94.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.217 0.532 . . . . 0.0 110.427 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.68 -37.02 62.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.077 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.36 -38.47 71.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.095 -176.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.483 ' HB3' ' HD3' ' A' ' 40' ' ' PRO . 3.3 tt -50.52 -54.77 31.75 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -172.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' A' ' 39' ' ' LEU . 55.9 Cg_endo -71.14 -30.86 15.52 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 121.517 1.478 . . . . 0.0 112.173 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -71.58 -40.65 69.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.102 0.477 . . . . 0.0 110.29 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.5 mt -72.27 -40.61 67.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.924 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -58.6 -43.74 89.66 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.5 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.85 81.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.252 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.36 94.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.511 HD21 ' HB3' ' A' ' 55' ' ' ALA . 48.8 mt -68.72 -26.78 65.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.122 178.04 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.86 -36.92 70.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.151 0.5 . . . . 0.0 110.014 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -70.85 -44.51 66.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.337 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.538 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 10.5 t70 -149.07 88.85 5.01 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.938 0.399 . . . . 0.0 110.774 -176.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.07 -5.59 9.66 Favored 'Trans proline' 0 N--CA 1.474 0.334 0 C-N-CA 123.427 2.751 . . . . 0.0 113.686 -175.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.43 6.52 19.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.836 0.351 . . . . 0.0 111.916 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -83.51 81.87 8.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.946 0.403 . . . . 0.0 109.916 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.491 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 2.3 m -54.79 -38.27 67.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.28 -176.031 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.3 t -62.19 -35.59 69.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.109 0.48 . . . . 0.0 110.589 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.511 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -68.71 -30.07 68.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.467 -177.005 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.491 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 23.8 m0 -60.51 -47.09 87.68 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.813 0.816 . . . . 0.0 109.431 177.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 1.023 ' HA ' HD21 ' A' ' 95' ' ' LEU . 86.9 tttt -65.35 -43.16 91.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.326 -176.07 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.475 ' HA ' ' HD3' ' A' ' 61' ' ' LYS . 65.5 m95 -75.06 -28.9 60.56 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 55' ' ' ALA . 2.1 tm? -58.96 -50.96 72.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.327 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.33 -39.22 94.43 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.311 179.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.475 ' HD3' ' HA ' ' A' ' 58' ' ' TRP . 27.5 mtpp -61.29 -36.18 79.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.143 0.497 . . . . 0.0 110.563 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.52 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 25.3 m -69.57 -40.13 76.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.834 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.435 HD23 HD13 ' A' ' 59' ' ' LEU . 3.4 mm? -62.08 -39.66 93.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.121 177.089 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -66.43 -37.08 84.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.08 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.04 -24.46 62.99 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.379 176.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -34.03 62.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.512 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.05 -26.16 4.79 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.64 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -88.96 96.59 10.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.453 0.644 . . . . 0.0 110.49 -176.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 69' ' ' ARG . 17.5 ptt-85 -65.33 -24.24 67.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.065 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.66 94.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.36 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.48 -33.64 63.94 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.443 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.57 -50.99 71.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.616 0.245 . . . . 0.0 110.79 177.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -65.78 -37.85 87.44 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.455 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -44.07 86.28 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.138 0.494 . . . . 0.0 109.847 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.36 89.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.256 178.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.609 ' CD1' HD22 ' A' ' 95' ' ' LEU . 14.5 m0 -65.89 -41.6 91.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.372 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.8 -37.16 85.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.777 0.323 . . . . 0.0 110.924 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.2 m -70.22 -46.73 63.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.406 177.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.09 -29.19 74.73 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.183 178.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 tp -61.22 -50.62 72.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.136 0.493 . . . . 0.0 109.727 176.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.38 -31.93 73.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.702 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.64 86.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.012 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.24 92.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.586 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -62.04 -44.12 97.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.934 175.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.6 t -61.6 -33.04 73.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.822 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.481 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 2.9 mmp_? -84.74 -15.26 45.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.786 0.326 . . . . 0.0 111.764 178.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.66 30.98 34.32 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.745 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -105.18 83.65 2.0 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.016 0.436 . . . . 0.0 111.064 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -59.2 -35.01 72.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.911 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.561 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 39.0 tt0 -56.18 -47.66 77.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 45.9 t -68.55 -37.96 78.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.14 -176.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.5 t -58.5 -45.12 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.429 177.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 97' ' ' VAL . 57.6 mtmt -66.91 -41.3 87.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.097 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 76.0 mt-10 -63.75 -49.4 73.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.866 0.365 . . . . 0.0 111.317 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 1.023 HD21 ' HA ' ' A' ' 57' ' ' LYS . 23.9 mt -67.25 -31.95 72.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.457 -178.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -60.04 -34.09 72.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.762 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.568 ' HA ' ' HG3' ' A' ' 100' ' ' ARG . 64.5 t -59.55 -39.46 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 120.791 0.329 . . . . 0.0 110.853 -177.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -64.76 -42.65 94.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.956 0.408 . . . . 0.0 109.919 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.06 -31.67 72.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.654 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.568 ' HG3' ' HA ' ' A' ' 97' ' ' VAL . 1.4 mtp180 -63.8 -47.79 79.47 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 120.999 0.428 . . . . 0.0 110.3 -179.032 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -72.97 -36.64 67.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.373 178.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.415 ' HA ' HD22 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -58.33 -45.01 88.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.972 179.454 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.37 -32.27 73.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.074 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 78.6 mtp180 -68.39 -47.03 68.41 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 177.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -62.91 -39.8 95.64 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.09 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -69.6 -46.25 66.71 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.919 0.39 . . . . 0.0 110.544 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.735 -179.188 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.494 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 50.7 mm . . . . . 0 N--CA 1.462 0.128 0 CA-C-O 120.975 0.417 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.571 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -57.65 -36.04 71.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.076 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -66.6 -46.33 76.26 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -176.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -67.18 -31.59 72.09 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.009 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.629 ' O ' ' HG2' ' A' ' 11' ' ' MET . 96.2 mt -65.24 -41.57 94.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.465 175.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 5' ' ' THR . 50.6 mt-10 -62.15 -40.26 95.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.117 0.484 . . . . 0.0 110.544 175.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.66 -41.72 83.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.878 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.629 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 20.9 ptm -62.66 -25.77 68.31 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 111.512 0.189 . . . . 0.0 111.512 -176.218 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.411 HD11 HD21 ' A' ' 21' ' ' LEU . 8.6 mp -60.09 -44.48 94.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.92 0.39 . . . . 0.0 110.52 174.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.87 -6.9 54.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.049 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -92.49 3.66 55.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.53 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.17 58.82 2.39 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.851 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.0 m -153.24 103.51 2.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.771 0.32 . . . . 0.0 110.574 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -136.0 115.85 13.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.107 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.461 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 60.3 m-80 -132.81 165.26 24.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.351 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -63.96 -47.91 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 tp -60.83 -30.97 70.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.91 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.411 HD21 HD11 ' A' ' 12' ' ' LEU . 9.3 tt -66.52 -47.9 71.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.963 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.472 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 41.4 mtt180 -63.02 -36.23 82.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.041 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -66.68 -40.41 88.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.386 175.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.6 m -60.57 -37.13 80.29 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.558 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.554 ' O ' ' HD2' ' A' ' 29' ' ' TYR . 90.0 mt -61.41 -50.04 74.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.211 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.43 -43.19 97.65 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.093 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -57.45 -49.27 76.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.938 0.399 . . . . 0.0 110.735 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.0 m -64.64 -42.08 95.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.39 -176.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.554 ' HD2' ' O ' ' A' ' 25' ' ' LEU . 42.0 m-85 -64.73 -40.09 94.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.726 177.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.17 -40.8 90.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.402 . . . . 0.0 110.839 -178.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -65.24 -25.99 67.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.873 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -92.41 10.42 30.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.46 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 68.72 16.54 8.95 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.548 0.689 . . . . 0.0 110.779 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -91.16 46.28 1.3 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.212 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -50.37 -45.11 54.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.419 -0.809 . . . . 0.0 112.636 -172.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -60.15 -45.39 93.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.144 0.497 . . . . 0.0 110.761 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.9 -27.47 64.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.399 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.04 -37.87 84.85 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.987 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.4 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 97.6 mt -51.86 -54.31 41.69 Favored Pre-proline 0 CA--C 1.541 0.599 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -173.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 22.4 Cg_endo -62.86 -31.34 77.83 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 122.051 1.834 . . . . 0.0 112.34 -178.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -71.97 -39.73 69.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.921 0.391 . . . . 0.0 110.399 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.2 mt -71.0 -42.06 70.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.387 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -64.67 -32.55 74.26 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.226 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.3 94.8 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.006 0.431 . . . . 0.0 110.51 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 22' ' ' ARG . . . -68.43 -46.3 70.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.557 177.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.443 HD21 ' HB3' ' A' ' 55' ' ' ALA . 88.8 mt -66.87 -25.46 66.42 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.554 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -58.88 -45.92 89.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.114 0.483 . . . . 0.0 110.37 177.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -81.43 -44.46 17.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.189 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -139.02 88.19 13.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 121.198 0.523 . . . . 0.0 110.507 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.76 -2.96 12.23 Favored 'Trans proline' 0 CA--C 1.526 0.123 0 C-N-CA 123.106 2.538 . . . . 0.0 113.23 -177.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.61 15.74 2.01 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -170.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -92.64 96.69 10.34 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.004 -0.435 . . . . 0.0 110.496 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.837 ' HB3' HG21 ' A' ' 91' ' ' VAL . 15.5 m -55.59 -38.25 69.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.825 -174.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.3 t -58.15 -37.09 60.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 120.891 0.377 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.443 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -66.9 -28.99 68.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.04 -178.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.611 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 13.9 m0 -70.03 -44.74 68.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.392 0.615 . . . . 0.0 109.509 179.149 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.78 ' HA ' HD21 ' A' ' 95' ' ' LEU . 79.2 tttt -65.15 -39.1 92.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.966 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -74.74 -28.64 60.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.926 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -56.57 -50.75 71.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 110.482 -177.506 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.26 -41.07 99.66 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.033 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -61.51 -38.23 86.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.94 0.4 . . . . 0.0 111.366 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 49.9 m -64.55 -44.74 89.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.092 -178.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.1 -33.72 73.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.109 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -40.27 85.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.343 . . . . 0.0 110.243 175.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.04 -37.98 94.87 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.954 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -68.21 -23.17 64.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.143 0.496 . . . . 0.0 110.331 177.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.84 26.25 8.6 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.894 -0.67 . . . . 0.0 113.441 172.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -113.29 101.31 9.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.452 0.644 . . . . 0.0 110.245 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -62.58 -45.92 90.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.754 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' ' 73' ' ' ARG . . . -62.64 -44.02 97.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 111.652 -177.017 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.55 -38.07 93.08 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.847 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.4 -47.63 81.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.536 0.208 . . . . 0.0 111.253 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.663 ' HB3' HD21 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -65.07 -43.22 92.93 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.558 -177.777 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -68.94 -33.58 73.95 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.497 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.42 88.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.358 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 4.6 m0 -66.96 -41.77 86.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.447 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.95 -40.38 93.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.007 0.432 . . . . 0.0 110.406 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 m -71.36 -41.34 69.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.444 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.46 -33.15 83.88 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.177 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.76 -48.58 80.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.119 0.485 . . . . 0.0 109.742 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.85 -31.36 72.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.131 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.49 84.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.095 0.474 . . . . 0.0 110.003 175.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.583 ' HA ' ' CZ3' ' A' ' 56' ' ' TRP . . . -65.6 -40.73 92.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.831 177.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.26 -43.19 99.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.308 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.7 t -60.19 -40.19 89.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.731 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.734 ' HD2' ' HB2' ' A' ' 88' ' ' ASP . 2.0 tmt_? -76.08 -14.34 60.2 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 122.993 0.517 . . . . 0.0 111.031 177.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.6 19.58 74.87 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.944 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.734 ' HB2' ' HD2' ' A' ' 86' ' ' ARG . 32.0 t0 -86.6 78.4 9.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.619 0.723 . . . . 0.0 109.535 -175.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -61.47 -33.99 74.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.923 -1.035 . . . . 0.0 112.215 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -57.14 -45.84 83.2 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.528 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.837 HG21 ' HB3' ' A' ' 53' ' ' SER . 72.0 t -72.19 -36.66 56.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.86 178.441 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.556 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 71.2 t -56.46 -47.37 81.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -61.48 -35.96 79.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.149 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -68.19 -44.74 75.18 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.878 0.37 . . . . 0.0 110.707 177.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.78 HD21 ' HA ' ' A' ' 57' ' ' LYS . 48.5 mt -65.64 -36.1 82.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.439 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' A' ' 92' ' ' VAL . 18.6 mm-40 -56.44 -34.75 67.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.953 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 58.3 t -61.35 -41.15 88.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.955 0.407 . . . . 0.0 110.514 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.411 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 71.7 m-85 -67.3 -32.89 74.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.084 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 99' ' ' LEU . 4.1 mm? -64.38 -37.03 86.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.605 177.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.535 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 39.4 mtt180 -69.36 -45.16 70.03 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.875 0.845 . . . . 0.0 108.84 178.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -55.36 -47.51 75.64 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 113.816 -1.538 . . . . 0.0 110.419 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' A' ' 73' ' ' ARG . 41.5 tp -69.68 -41.3 75.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.421 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.23 73.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.31 -0.404 . . . . 0.0 112.045 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 46.3 mtp180 -62.14 -29.67 70.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.694 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -76.4 -47.83 21.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.219 0.533 . . . . 0.0 111.185 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -64.49 -47.28 79.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.851 -173.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.73 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.319 -177.652 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.591 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 51.2 mm . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 121.0 0.429 . . . . 0.0 110.608 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 p -65.44 -39.89 92.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.956 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -71.18 -36.27 71.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.586 -175.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -69.54 -31.49 69.74 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.352 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 96.4 mt -62.52 -41.92 99.18 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.849 0.357 . . . . 0.0 110.247 175.21 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -61.23 -40.56 94.46 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.751 175.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -64.73 -49.5 70.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.474 -179.257 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.0 ptm -68.09 -29.96 69.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.731 0.3 . . . . 0.0 110.978 -177.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -64.54 -43.34 94.29 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 176.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.08 -7.56 54.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.658 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 28.8 mm-40 -83.33 -3.41 57.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 111.024 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.59 34.3 4.47 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.333 176.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.4 m -128.0 87.38 2.6 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.041 0.448 . . . . 0.0 109.84 173.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.24 146.12 30.61 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.463 ' HB3' ' HB3' ' A' ' 21' ' ' LEU . 4.9 t-20 -148.2 178.09 8.85 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -176.336 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -102.65 -61.39 1.4 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.01 -35.8 80.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.886 -177.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.463 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . 2.4 tm? -58.14 -47.69 82.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.626 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.41 ' HD3' HH11 ' A' ' 22' ' ' ARG . 12.1 ptp180 -71.54 -30.37 65.81 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.573 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -69.7 -49.94 48.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.757 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.2 t -66.16 -33.25 75.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.681 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tt -56.7 -50.04 73.36 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 177.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.6 -38.76 61.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.089 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -58.49 -36.92 74.52 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 122.443 0.297 . . . . 0.0 111.261 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.6 m -61.01 -35.97 78.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.729 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -66.02 -43.45 87.59 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 176.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.47 98.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.768 -178.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -63.18 -34.87 78.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.267 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -90.7 19.14 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.217 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.465 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 31.0 tt0 72.3 15.86 5.21 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.433 0.635 . . . . 0.0 111.863 172.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -103.43 46.74 0.91 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.465 ' CE1' ' HA ' ' A' ' 33' ' ' GLU . 95.6 m-85 -50.84 -33.71 24.88 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 114.743 -1.117 . . . . 0.0 112.273 -175.012 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -53.4 -40.0 64.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.393 0.616 . . . . 0.0 111.358 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.6 -26.55 59.99 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.177 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.66 -36.95 76.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.571 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.424 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 6.7 mp -48.75 -54.33 28.41 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -172.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 21.8 Cg_endo -62.85 -36.71 59.75 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 121.821 1.681 . . . . 0.0 112.901 -178.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -71.99 -42.48 66.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.621 -177.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mp -65.0 -40.56 95.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.79 0.329 . . . . 0.0 110.821 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -68.51 -31.32 70.49 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.884 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.92 -31.13 68.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.875 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.28 -35.41 76.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.303 0.573 . . . . 0.0 110.103 174.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.431 HD11 HD11 ' A' ' 59' ' ' LEU . 97.1 mt -64.32 -24.11 67.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.978 177.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -58.99 -45.2 91.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.179 0.514 . . . . 0.0 110.624 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -81.03 -40.13 24.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.413 -178.199 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -143.41 87.41 8.46 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 120.773 0.321 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -70.45 -8.65 24.11 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.362 2.041 . . . . 0.0 111.575 179.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.602 ' HA ' ' HZ2' ' A' ' 56' ' ' TRP . 10.3 p -97.94 16.81 19.84 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.15 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -77.76 89.17 4.01 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.745 ' HB3' HG21 ' A' ' 91' ' ' VAL . 2.2 m -49.49 -36.29 22.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.151 -0.931 . . . . 0.0 112.609 -175.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.4 t -62.78 -37.54 79.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.962 0.41 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.586 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -68.94 -35.92 77.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.205 -177.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.602 ' HZ2' ' HA ' ' A' ' 51' ' ' THR . 29.0 m0 -57.22 -45.2 84.06 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.478 0.656 . . . . 0.0 109.917 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 1.027 ' HA ' HD21 ' A' ' 95' ' ' LEU . 61.7 tttt -65.28 -36.49 84.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.656 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -75.34 -30.77 60.35 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 78.4 mt -56.1 -49.98 72.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.856 0.36 . . . . 0.0 111.31 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.568 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -58.82 -44.1 96.15 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.662 178.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -65.98 -30.66 71.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.714 0.292 . . . . 0.0 111.352 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.449 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . 45.7 m -69.32 -44.23 72.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.723 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.9 mt -68.62 -31.96 71.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.955 0.407 . . . . 0.0 110.837 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -68.62 -30.47 69.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.645 174.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.84 -25.73 64.1 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.764 -0.732 . . . . 0.0 111.756 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -70.88 -48.95 51.01 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.18 24.26 2.49 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.499 -0.857 . . . . 0.0 113.257 175.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -114.37 105.4 13.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.452 0.644 . . . . 0.0 110.736 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.563 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 25.6 ttp180 -62.5 -44.28 96.76 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.848 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.78 -45.1 83.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.668 0.271 . . . . 0.0 111.719 -176.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.45 -39.89 95.97 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.885 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.47 86.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.456 0.17 . . . . 0.0 111.446 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' ' 69' ' ' ARG . 1.8 ptm180 -65.17 -42.63 93.49 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.928 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -66.91 -38.06 85.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.696 0.284 . . . . 0.0 110.689 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.11 -43.32 98.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.742 177.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.632 ' CD1' HD22 ' A' ' 95' ' ' LEU . 8.0 m0 -63.66 -40.62 97.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.937 178.448 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 73' ' ' ARG . 45.9 mm-40 -61.02 -40.05 92.08 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.871 0.367 . . . . 0.0 110.53 175.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.5 m -67.2 -45.77 75.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.537 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.28 -34.32 80.06 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.12 -0.562 . . . . 0.0 111.944 178.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 76' ' ' TRP . 10.7 tp -61.06 -52.31 65.5 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 178.124 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.92 -31.82 72.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.128 178.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 86' ' ' ARG . . . -65.09 -46.12 82.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.842 176.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.402 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -68.88 -36.97 78.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.858 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -59.0 -46.89 87.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.29 174.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.4 t -67.05 -39.29 86.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.147 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.52 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -76.34 -14.61 60.09 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.596 -177.117 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.99 17.51 74.49 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.577 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -93.63 80.69 4.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.143 0.496 . . . . 0.0 110.274 -178.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -55.96 -41.55 74.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.112 -178.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -56.13 -42.74 77.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.048 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.745 HG21 ' HB3' ' A' ' 53' ' ' SER . 48.2 t -68.34 -38.23 79.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.326 -179.148 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.51 -49.4 82.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.499 176.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.532 ' O ' HG23 ' A' ' 97' ' ' VAL . 69.5 mmtt -65.77 -38.24 88.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.824 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.87 -49.4 77.89 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 120.606 0.241 . . . . 0.0 111.564 175.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 1.027 HD21 ' HA ' ' A' ' 57' ' ' LYS . 81.4 mt -68.96 -33.99 74.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.573 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 50.4 tt0 -57.2 -42.27 80.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.833 177.34 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 93' ' ' LYS . 89.5 t -60.92 -42.17 91.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.764 0.316 . . . . 0.0 111.032 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -66.99 -35.27 79.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.903 0.382 . . . . 0.0 110.976 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 96' ' ' GLN . 88.0 mt -61.22 -36.35 79.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.525 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.573 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 16.3 mmm180 -70.98 -46.93 61.48 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-O 121.249 0.547 . . . . 0.0 109.884 -178.286 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.6 ttp85 -53.88 -46.76 71.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.573 175.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.23 -42.28 98.34 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.21 -33.12 75.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.549 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 54.9 mtt180 -64.16 -46.35 84.42 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.15 0.5 . . . . 0.0 110.168 176.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.51 -33.55 64.82 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.004 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -63.46 -46.98 83.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.182 174.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.581 -178.479 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 59.6 mt . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 121.191 0.52 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -34.12 66.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.554 -178.502 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -64.52 -45.75 85.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.31 -176.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -73.42 -32.8 64.63 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.7 0.286 . . . . 0.0 110.563 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.56 -40.81 89.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.878 0.371 . . . . 0.0 110.248 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.477 ' HA ' HD13 ' A' ' 12' ' ' LEU . 43.5 tt0 -66.62 -32.63 74.08 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.554 177.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.78 -30.05 71.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.031 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 86.6 mtp -63.31 -30.12 71.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.354 -178.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 9' ' ' GLU . 10.5 mp -59.0 -39.5 82.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.149 0.499 . . . . 0.0 110.647 178.033 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.4 -13.84 61.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.025 -178.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -86.45 -5.27 59.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.643 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.55 -27.32 15.53 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.855 -0.688 . . . . 0.0 113.28 175.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.9 m -86.12 79.46 9.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.653 0.74 . . . . 0.0 110.89 -176.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.635 ' HA ' HD21 ' A' ' 21' ' ' LEU . 31.8 t70 -142.6 113.46 7.51 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.638 172.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -135.04 -76.95 0.45 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.965 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.8 tpt -145.4 -57.3 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.78 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.598 HD13 ' HE1' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -77.01 71.51 3.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.314 0.578 . . . . 0.0 110.461 -173.012 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.635 HD21 ' HA ' ' A' ' 17' ' ' ASP . 3.7 pp -175.14 -33.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.433 175.156 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -73.11 -16.35 61.46 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.748 -175.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.598 ' HE1' HD13 ' A' ' 20' ' ' LEU . 22.1 p90 -69.96 -33.58 72.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.021 0.439 . . . . 0.0 110.34 177.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.6 m -66.94 -33.92 76.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.161 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.2 mt -60.55 -44.25 96.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.726 174.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.412 ' HA2' ' HD2' ' A' ' 29' ' ' TYR . . . -58.85 -43.26 96.72 Favored Glycine 0 C--N 1.333 0.401 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.89 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HG2' ' CZ2' ' A' ' 58' ' ' TRP . 92.9 mttt -56.68 -49.04 76.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.338 0.589 . . . . 0.0 110.487 175.012 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.3 m -63.4 -35.59 80.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.276 -175.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.412 ' HD2' ' HA2' ' A' ' 26' ' ' GLY . 29.1 m-85 -62.44 -47.23 84.98 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 175.559 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.05 87.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.418 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.39 -30.15 70.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -88.99 4.92 46.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.066 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 64.37 26.03 13.51 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.248 0.547 . . . . 0.0 111.282 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -98.69 45.94 1.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.609 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -52.59 -39.79 61.98 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.403 -173.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -54.84 -41.46 70.77 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.415 0.626 . . . . 0.0 111.098 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.58 -27.41 61.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.95 -177.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.2 -38.25 78.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.371 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.403 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 8.2 mp -51.08 -54.82 33.63 Favored Pre-proline 0 N--CA 1.472 0.629 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -173.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 18.5 Cg_endo -61.45 -38.66 61.91 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 121.738 1.625 . . . . 0.0 112.602 -179.046 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -71.93 -39.65 69.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.014 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.7 mt -71.1 -38.8 72.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.729 0.299 . . . . 0.0 110.85 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.1 tpt180 -63.21 -36.74 84.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.272 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.79 -43.33 68.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.081 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.8 -47.34 86.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.1 0.476 . . . . 0.0 110.998 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.401 HD21 ' HB3' ' A' ' 55' ' ' ALA . 82.6 mt -67.31 -24.32 65.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.121 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -69.58 -34.6 74.38 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.879 0.371 . . . . 0.0 110.405 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -81.5 -44.19 17.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.003 177.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -142.98 86.84 9.06 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.066 0.46 . . . . 0.0 110.293 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.55 -6.31 18.81 Favored 'Trans proline' 0 N--CA 1.475 0.407 0 C-N-CA 123.21 2.607 . . . . 0.0 113.783 -172.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.464 ' HA ' ' HZ2' ' A' ' 56' ' ' TRP . 11.9 t -96.14 14.18 24.81 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.778 0.323 . . . . 0.0 111.286 -175.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.512 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 25.1 t80 -75.4 91.31 2.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.125 0.488 . . . . 0.0 109.941 176.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.65 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 1.6 m -48.8 -36.8 17.5 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.311 1.044 . . . . 0.0 113.661 -174.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.512 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 54.9 t -60.53 -40.28 83.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.878 0.37 . . . . 0.0 110.738 -178.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.401 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -68.93 -28.3 66.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.723 -176.006 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.65 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 43.2 m0 -58.08 -45.6 86.88 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.232 0.539 . . . . 0.0 110.516 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -64.8 -45.34 86.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.27 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.499 ' HD1' ' O ' ' A' ' 54' ' ' VAL . 87.4 m95 -67.47 -42.63 82.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.146 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.23 -49.52 75.75 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.05 -37.52 93.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.62 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -70.28 -24.3 63.02 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-O 120.805 0.336 . . . . 0.0 111.008 -177.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 84.9 m -58.7 -38.64 78.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.986 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.06 -42.46 94.57 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.912 177.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.6 tp60 -61.47 -44.41 97.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.405 177.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.68 -27.15 73.62 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.325 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -78.03 -37.31 47.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.827 0.346 . . . . 0.0 110.233 177.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.9 -0.83 7.26 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.433 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -95.72 89.69 5.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.132 0.492 . . . . 0.0 110.277 -179.143 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.666 ' HD3' ' HB3' ' A' ' 105' ' ' GLU . 5.5 ptp85 -65.94 -33.67 76.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.056 178.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.01 -47.13 69.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.309 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.48 -37.87 94.84 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.927 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.16 -46.9 85.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.611 0.243 . . . . 0.0 110.747 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -58.62 -50.46 73.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.62 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -64.71 -37.14 86.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.057 -177.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.06 -44.15 80.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.056 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.55 ' HB3' HD21 ' A' ' 99' ' ' LEU . 21.5 m0 -67.52 -37.02 82.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.446 -178.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -61.83 -37.79 85.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.111 0.481 . . . . 0.0 110.384 175.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.4 t -72.6 -40.41 66.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.233 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.78 -31.26 67.54 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.504 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.4 tp -60.98 -50.86 71.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.033 0.444 . . . . 0.0 110.275 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.05 -33.44 73.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.104 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.97 -47.53 77.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.903 0.383 . . . . 0.0 110.002 176.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.638 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -64.57 -41.12 96.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.707 178.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -59.83 -47.75 84.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.0 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.0 t -61.97 -39.41 92.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.506 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 13.2 mmt180 -86.76 -11.57 50.67 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -177.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.09 21.15 57.82 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.643 -0.789 . . . . 0.0 113.042 175.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.16 75.18 9.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.816 0.817 . . . . 0.0 109.683 175.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -60.75 -38.62 85.79 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.256 -1.338 . . . . 0.0 111.763 -174.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.653 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 32.0 tt0 -55.93 -48.15 76.24 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.56 177.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.82 -37.98 81.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.559 -176.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 65.1 t -57.96 -53.17 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.306 177.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.44 ' HD3' ' OE1' ' A' ' 96' ' ' GLN . 74.0 mmtt -66.3 -30.91 71.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.932 -177.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.653 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 49.2 mt-10 -67.88 -47.15 69.67 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.721 0.296 . . . . 0.0 110.548 176.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.0 mt -66.35 -37.16 84.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.461 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.44 ' OE1' ' HD3' ' A' ' 93' ' ' LYS . 48.5 mt-30 -57.78 -31.03 66.14 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 179.185 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 96.9 t -61.85 -43.93 98.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-O 121.175 0.512 . . . . 0.0 110.415 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -67.35 -38.17 84.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.093 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.55 HD21 ' HB3' ' A' ' 76' ' ' TRP . 3.9 mm? -57.55 -34.4 69.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.845 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.405 ' HD2' HH11 ' A' ' 100' ' ' ARG . 9.5 mtm180 -66.93 -47.36 71.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.292 0.568 . . . . 0.0 110.405 -179.179 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 101' ' ' ARG . 36.0 ttp180 -71.82 -35.13 69.83 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.566 -177.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.436 ' HG ' ' HZ3' ' A' ' 76' ' ' TRP . 3.3 tm? -65.39 -36.92 85.43 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.076 177.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.43 -30.78 61.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.37 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -56.19 -45.31 79.84 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.667 0.27 . . . . 0.0 110.739 -178.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.666 ' HB3' ' HD3' ' A' ' 69' ' ' ARG . 40.1 mt-10 -63.5 -42.41 98.52 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.114 0.483 . . . . 0.0 110.967 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -72.2 -45.97 58.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.376 -177.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.7 -177.697 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.5 mm . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 121.426 0.631 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -55.9 -47.1 78.04 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.805 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -67.91 -41.84 82.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.734 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.588 ' O ' ' HG3' ' A' ' 11' ' ' MET . 5.8 ppt_? -72.56 -31.19 65.07 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.349 -175.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.651 ' HB2' HD21 ' A' ' 25' ' ' LEU . 67.8 mt -63.68 -50.7 68.21 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.216 -0.194 . . . . 0.0 111.104 178.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -59.66 -32.79 70.8 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.873 0.368 . . . . 0.0 111.328 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.81 -30.17 68.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.26 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.625 ' HA ' ' OE1' ' A' ' 14' ' ' GLN . 91.9 mtp -63.42 -27.56 69.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.862 -176.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.425 ' HG ' ' HA ' ' A' ' 17' ' ' ASP . 8.9 mp -63.62 -30.69 71.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.33 . . . . 0.0 110.877 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.92 -16.63 63.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.538 -177.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.625 ' OE1' ' HA ' ' A' ' 11' ' ' MET . 2.1 mp0 -78.19 4.13 13.42 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.151 178.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.79 33.32 4.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 0.0 113.307 173.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.3 m -154.46 96.6 1.92 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.982 0.42 . . . . 0.0 111.179 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.425 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 9.6 p-10 -93.29 96.1 9.77 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.749 0.785 . . . . 0.0 109.301 173.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -108.38 147.9 30.88 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.833 -176.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.72 -32.21 35.83 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.15 -172.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.7 tp -66.2 -32.93 74.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.117 0.484 . . . . 0.0 110.219 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 tt -64.32 -45.8 86.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.324 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.648 ' HG2' HD12 ' A' ' 25' ' ' LEU . 57.4 mtt180 -75.95 -17.16 59.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.579 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.43 -41.91 93.01 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 169.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.7 m -62.37 -38.99 91.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.856 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.651 HD21 ' HB2' ' A' ' 8' ' ' LEU . 34.1 mt -59.68 -46.24 89.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.544 177.025 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.434 ' HA2' ' HD2' ' A' ' 29' ' ' TYR . . . -58.98 -42.72 97.01 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.822 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 14.6 tmtt? -63.22 -40.27 96.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.374 -0.413 . . . . 0.0 110.57 176.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 m -69.64 -35.6 75.36 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.336 -179.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.518 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 21.7 m-85 -56.71 -46.5 81.22 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.987 0.422 . . . . 0.0 110.879 177.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.67 75.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.659 -175.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 27' ' ' LYS . 41.1 mt-10 -69.22 -33.38 73.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.015 0.436 . . . . 0.0 111.02 -178.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -93.24 12.54 24.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.525 -178.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.425 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 28.0 tt0 63.67 28.91 15.08 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.997 176.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -97.79 45.1 1.03 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.763 0.792 . . . . 0.0 109.08 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.488 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 81.7 m-85 -60.38 -32.07 70.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.735 -1.121 . . . . 0.0 112.176 -173.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.14 -45.01 96.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.353 0.597 . . . . 0.0 110.32 -177.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.5 -28.4 60.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.6 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 29' ' ' TYR . . . -68.34 -37.13 80.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.889 -178.233 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.576 HD11 ' HG3' ' A' ' 66' ' ' GLN . 89.3 mt -49.66 -54.39 31.81 Favored Pre-proline 0 CA--C 1.541 0.607 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -173.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 51.6 Cg_endo -71.42 -32.24 12.73 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 121.449 1.433 . . . . 0.0 111.536 178.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -66.78 -37.02 83.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.541 -177.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.44 -43.23 67.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.298 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -61.1 -38.25 85.62 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.729 0.299 . . . . 0.0 110.693 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.06 -36.47 79.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.927 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.17 81.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.737 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.5 -25.63 68.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.115 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.26 -38.76 88.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.135 0.493 . . . . 0.0 110.496 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -80.81 -43.57 19.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.645 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -145.55 87.26 7.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 120.971 0.415 . . . . 0.0 110.899 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.54 -4.98 16.29 Favored 'Trans proline' 0 N--CA 1.466 -0.126 0 C-N-CA 122.618 2.212 . . . . 0.0 112.195 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.7 p -93.3 11.65 27.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.956 -177.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.501 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 10.9 t80 -81.62 94.63 6.97 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 175.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.503 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 11.8 m -52.02 -41.02 61.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.715 -175.289 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.501 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 93.1 t -61.27 -36.18 71.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.934 0.397 . . . . 0.0 111.05 -179.284 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.06 -29.49 70.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.396 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.542 ' HH2' ' HG3' ' A' ' 86' ' ' ARG . 27.6 m0 -63.55 -45.73 89.18 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.444 0.64 . . . . 0.0 110.112 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.944 ' HA ' HD21 ' A' ' 95' ' ' LEU . 82.4 tttt -65.21 -39.21 92.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.964 -177.424 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -75.77 -29.65 58.85 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.67 -48.1 78.37 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 110.239 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.64 -39.14 97.52 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.051 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -66.96 -33.46 75.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.488 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 29.9 m -64.09 -43.23 96.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.515 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.24 -38.8 78.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.561 177.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -59.91 -49.65 76.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.169 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.15 -18.87 78.22 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.957 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.576 ' HG3' HD11 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -73.06 -30.69 63.89 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -178.758 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.49 -10.42 3.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.109 -1.043 . . . . 0.0 114.107 174.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -113.12 106.32 14.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.807 0.813 . . . . 0.0 111.682 -178.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.535 ' HD2' ' N ' ' A' ' 70' ' ' ALA . 1.9 ppt_? -65.29 -27.96 68.99 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.855 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.535 ' N ' ' HD2' ' A' ' 69' ' ' ARG . . . -66.96 -50.06 63.51 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.249 -173.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.07 -38.53 96.27 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.825 177.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.44 -47.98 83.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.536 0.208 . . . . 0.0 110.928 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -56.13 -50.77 70.19 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.419 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.67 -42.24 92.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.589 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.5 -47.09 87.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.34 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.556 ' CD1' HD22 ' A' ' 95' ' ' LEU . 12.3 m0 -65.27 -47.62 76.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.125 -178.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.6 -35.14 78.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.124 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.3 m -73.41 -45.91 51.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.795 0.331 . . . . 0.0 110.714 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.79 -23.68 69.31 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 121.379 -0.438 . . . . 0.0 112.725 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.9 tp -57.04 -45.02 83.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.215 0.531 . . . . 0.0 110.029 176.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.68 -31.09 71.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.123 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.01 87.27 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.41 -43.48 90.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.601 177.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -57.38 -45.6 84.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.28 174.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 t -59.02 -28.97 66.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.678 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.542 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 18.6 mmm180 -95.07 -13.61 25.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.598 0.237 . . . . 0.0 111.168 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.39 18.56 56.94 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.971 -0.633 . . . . 0.0 113.203 177.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.461 ' O ' HG23 ' A' ' 92' ' ' VAL . 4.3 m-20 -88.99 78.81 7.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.929 0.395 . . . . 0.0 111.12 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -56.93 -37.94 72.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.838 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.487 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 32.7 tt0 -56.31 -47.55 78.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.854 176.642 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.35 -38.54 82.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.14 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 88' ' ' ASP . 86.3 t -58.17 -44.97 88.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.324 176.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.528 ' O ' HG23 ' A' ' 97' ' ' VAL . 57.2 mtmt -67.0 -41.97 85.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 45.3 mt-10 -60.19 -48.91 79.74 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 120.887 0.375 . . . . 0.0 110.981 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.944 HD21 ' HA ' ' A' ' 57' ' ' LYS . 49.9 mt -68.88 -32.49 72.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.167 -179.044 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -59.89 -39.52 85.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.987 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 93' ' ' LYS . 64.9 t -59.48 -37.91 72.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.922 -177.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.45 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 92.9 m-85 -62.44 -45.63 92.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.629 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.438 HD21 ' HB2' ' A' ' 76' ' ' TRP . 89.0 mt -62.02 -33.88 75.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.964 -176.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 100' ' ' ARG . 7.5 mtm180 -68.71 -44.61 73.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.409 0.623 . . . . 0.0 110.307 -176.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -70.65 -41.31 72.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.799 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.661 HD13 ' HB2' ' A' ' 106' ' ' ASP . 2.6 tm? -62.93 -43.45 98.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.98 -31.56 60.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.9 -178.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 104' ' ' ARG . 21.3 mtp180 -59.75 -47.69 84.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.974 -179.37 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -76.41 -38.75 55.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.079 0.466 . . . . 0.0 111.157 175.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.661 ' HB2' HD13 ' A' ' 102' ' ' LEU . 14.7 t70 -62.31 -37.7 86.57 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.676 -175.086 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.223 178.167 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.488 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 46.7 mm . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.812 0.339 . . . . 0.0 111.332 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.7 t -58.6 -35.52 72.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.259 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.71 -49.1 69.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.715 0.293 . . . . 0.0 110.939 -175.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 4' ' ' ILE . 5.9 ppt_? -66.92 -31.19 71.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.407 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.1 -46.03 75.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.848 176.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.78 -35.47 78.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.002 0.429 . . . . 0.0 110.376 177.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -65.57 -49.6 68.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.199 178.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.8 ptm -69.03 -28.85 66.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.603 0.239 . . . . 0.0 110.556 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.518 HD12 HD22 ' A' ' 21' ' ' LEU . 6.7 tt -62.93 -40.72 98.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.32 -9.3 58.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.366 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 28.8 mm-40 -88.62 -5.3 58.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.923 0.392 . . . . 0.0 110.583 176.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.58 49.7 0.64 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.16 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.442 ' HB ' ' HA ' ' A' ' 12' ' ' LEU . 14.5 m -129.35 89.77 2.9 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -106.56 89.81 3.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.956 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.504 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 89.2 m-20 -119.33 157.47 28.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.913 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 19.5 ttt -73.22 -49.6 27.01 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.413 178.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.17 -42.56 98.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.594 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.518 HD22 HD12 ' A' ' 12' ' ' LEU . 5.2 tt -58.92 -37.7 77.27 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 -177.469 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 18' ' ' ASN . 69.1 mtt180 -59.31 -39.18 82.22 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.727 178.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -70.14 -42.95 71.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.989 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.4 m -56.52 -41.56 76.93 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.138 -178.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.411 HD12 ' HE1' ' A' ' 41' ' ' HIS . 94.1 mt -60.91 -48.89 79.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.383 176.523 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.31 -41.39 99.52 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.418 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -59.66 -39.72 85.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.864 0.364 . . . . 0.0 110.458 177.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.7 m -65.38 -43.9 89.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.784 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -64.15 -43.57 94.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.935 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.65 -44.34 96.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.132 -176.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.49 -36.95 74.55 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 121.15 0.5 . . . . 0.0 110.873 176.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -91.39 21.78 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.44 -176.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 69.56 19.85 7.29 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.05 172.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -104.13 46.23 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.845 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.475 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 82.5 m-85 -52.87 -36.38 59.0 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.996 -177.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -52.73 -48.53 66.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.842 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.09 -30.31 69.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.158 -176.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.91 -37.02 70.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.748 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 35' ' ' PHE . 95.6 mt -49.48 -54.89 25.96 Favored Pre-proline 0 N--CA 1.469 0.511 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -171.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 43.4 Cg_endo -69.06 -32.3 21.77 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 121.526 1.484 . . . . 0.0 112.34 -177.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.411 ' HE1' HD12 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -71.24 -42.69 68.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.599 -176.475 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.2 -40.11 71.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.767 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -62.56 -40.69 97.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.572 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 47' ' ' ASP . . . -64.26 -41.63 96.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.794 0.33 . . . . 0.0 111.174 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.0 -45.55 67.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.257 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.0 mt -65.14 -24.96 67.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.932 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 29.8 t70 -59.72 -45.43 92.19 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.826 176.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -77.2 -43.52 33.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.43 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -149.08 89.21 4.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 121.296 0.569 . . . . 0.0 110.754 -177.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.25 -2.4 11.13 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 123.184 2.589 . . . . 0.0 113.535 -176.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.63 -6.88 28.37 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -174.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.478 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 16.1 t80 -69.54 94.3 0.75 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.067 0.46 . . . . 0.0 110.016 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.426 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 1.4 p -61.4 -34.25 75.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.778 -172.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.478 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 59.2 t -63.16 -35.92 73.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.084 0.468 . . . . 0.0 110.713 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.3 -28.44 68.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.676 -175.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.812 ' HH2' ' HG3' ' A' ' 86' ' ' ARG . 37.3 m0 -58.67 -47.66 83.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.035 0.445 . . . . 0.0 110.738 -178.112 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.95 ' HA ' HD21 ' A' ' 95' ' ' LEU . 86.6 tttt -66.45 -36.65 83.31 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.005 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -75.35 -30.55 60.28 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.689 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -42.96 99.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 110.18 -178.19 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.517 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -64.29 -39.7 97.26 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.919 176.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -63.06 -42.47 99.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.717 0.294 . . . . 0.0 111.537 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.426 ' HB ' ' CD2' ' A' ' 39' ' ' LEU . 1.3 p -71.53 -41.21 69.45 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -175.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.629 HD12 ' HB2' ' A' ' 75' ' ' ALA . 32.0 mt -69.29 -31.35 69.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.766 0.317 . . . . 0.0 110.63 175.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -64.63 -48.93 73.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.415 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 63.51 19.22 62.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.208 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 66.24 18.43 10.93 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.115 0.566 . . . . 0.0 111.04 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -148.18 -41.62 0.04 OUTLIER Glycine 0 CA--C 1.523 0.537 0 C-N-CA 120.048 -1.072 . . . . 0.0 113.942 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -90.8 99.21 12.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.585 0.707 . . . . 0.0 110.891 -173.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -65.67 -29.91 70.53 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.84 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' A' ' 74' ' ' GLN . . . -67.0 -50.2 62.96 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 121.181 -0.208 . . . . 0.0 111.511 -175.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.44 -35.2 91.66 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.386 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.48 ' HB1' ' CZ3' ' A' ' 76' ' ' TRP . . . -60.73 -50.34 73.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.387 -0.406 . . . . 0.0 110.819 176.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -57.77 -49.22 77.32 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.757 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 70' ' ' ALA . 97.0 mt-30 -55.97 -45.9 78.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.77 -177.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.629 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -67.64 -47.57 69.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.033 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.517 ' NE1' ' HA3' ' A' ' 60' ' ' GLY . 24.5 m0 -67.41 -37.13 82.61 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -173.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -62.85 -39.6 94.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.022 0.439 . . . . 0.0 110.284 176.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -70.46 -44.86 66.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.348 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.53 -34.97 90.59 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.035 178.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.0 tp -62.98 -46.76 86.17 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.173 0.511 . . . . 0.0 110.1 179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.21 -33.34 74.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.197 177.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.13 -41.92 89.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.233 0.54 . . . . 0.0 109.856 175.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.97 -36.77 78.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.813 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -61.77 -46.05 91.25 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.316 174.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.6 t -59.31 -38.28 79.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.786 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.812 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 7.1 mmm180 -76.53 -15.69 59.81 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 177.344 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.61 24.18 67.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.939 -174.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.476 ' O ' HG23 ' A' ' 92' ' ' VAL . 3.9 m-20 -93.44 86.38 5.23 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.615 0.721 . . . . 0.0 110.645 -176.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -53.78 -40.2 66.06 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.238 -1.347 . . . . 0.0 112.834 -177.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -56.64 -43.84 80.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.321 . . . . 0.0 111.066 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.2 t -71.81 -37.82 63.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.981 0.42 . . . . 0.0 110.108 -178.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 88' ' ' ASP . 64.6 t -58.19 -47.5 87.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.325 177.664 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.577 ' O ' HG23 ' A' ' 97' ' ' VAL . 46.6 mtmt -62.8 -44.35 96.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.768 -178.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.86 -49.39 77.93 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.95 HD21 ' HA ' ' A' ' 57' ' ' LYS . 64.5 mt -69.62 -32.67 71.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.819 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -59.72 -39.9 86.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 93' ' ' LYS . 90.1 t -59.12 -38.38 73.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.489 -177.497 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -65.02 -41.13 95.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.197 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.19 -36.25 83.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.081 0.467 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -75.28 -47.84 26.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.286 0.565 . . . . 0.0 109.852 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.492 ' O ' ' HG2' ' A' ' 105' ' ' GLU . 51.7 ttt180 -59.1 -41.0 87.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.048 176.311 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 47.4 tp -58.11 -38.24 76.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.744 0.307 . . . . 0.0 110.716 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.78 -31.71 72.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.442 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -65.0 -47.54 77.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.987 0.422 . . . . 0.0 110.134 175.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' ' 101' ' ' ARG . 4.6 mm-40 -64.77 -44.28 90.54 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.08 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.49 -41.3 93.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.014 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.469 178.984 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.52 HG22 ' HG ' ' A' ' 8' ' ' LEU . 74.9 mt . . . . . 0 N--CA 1.448 -0.53 0 CA-C-O 120.734 0.302 . . . . 0.0 111.582 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.459 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 1.2 p -57.06 -51.4 69.44 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 -176.042 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.7 -38.84 92.64 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -174.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -73.81 -32.16 63.6 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.784 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.52 ' HG ' HG22 ' A' ' 4' ' ' ILE . 32.9 mt -66.37 -35.42 80.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.764 176.013 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 5' ' ' THR . 7.7 mm-40 -52.33 -41.47 63.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.919 0.39 . . . . 0.0 110.627 176.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -71.35 -39.08 71.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.044 177.282 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 88.7 mtp -68.67 -41.48 79.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.687 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 12' ' ' LEU . 4.1 mm? -64.53 -29.22 70.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.891 0.377 . . . . 0.0 110.581 177.223 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.71 -7.16 54.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.325 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 77.6 mm-40 -89.93 -8.44 51.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.808 178.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.9 32.7 13.98 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.367 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -102.6 78.41 1.71 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.426 0.631 . . . . 0.0 109.917 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -76.95 125.92 30.12 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.437 -176.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.617 ' HB2' ' HB2' ' A' ' 21' ' ' LEU . 20.0 m120 -145.97 154.34 41.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.451 174.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -82.21 -45.39 15.13 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 176.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 99.1 mt -78.95 24.3 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 18' ' ' ASN . 26.4 tp -115.78 -29.7 6.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.51 175.065 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -77.48 -29.32 52.57 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.515 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -67.22 -32.49 73.57 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.846 -179.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 m -61.1 -41.36 96.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.098 176.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.32 -48.3 73.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.282 176.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.447 ' HA2' ' CD2' ' A' ' 29' ' ' TYR . . . -58.49 -47.26 90.91 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.599 -0.728 . . . . 0.0 113.302 -176.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 40.7 mtpt -58.45 -40.45 82.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.913 0.387 . . . . 0.0 110.726 178.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.2 m -67.26 -34.09 76.7 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.219 -176.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.447 ' CD2' ' HA2' ' A' ' 26' ' ' GLY . 26.7 m-85 -60.07 -46.35 89.85 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.956 0.408 . . . . 0.0 110.182 177.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.99 86.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.352 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -64.2 -22.71 67.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.503 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -102.48 14.95 30.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.139 -175.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 68.48 20.66 8.43 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.533 0.682 . . . . 0.0 110.775 175.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.483 ' HG3' ' HB3' ' A' ' 37' ' ' ALA . 44.6 tp60 -108.85 46.27 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.754 -177.113 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.412 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 70.4 m-85 -54.71 -35.6 63.82 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.427 -176.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -53.52 -49.1 68.29 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.375 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.483 ' HB3' ' HG3' ' A' ' 34' ' ' GLN . . . -74.99 -28.41 60.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.257 -177.221 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.53 91.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.325 -177.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.495 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 84.0 mt -53.54 -54.44 45.68 Favored Pre-proline 0 CA--C 1.543 0.683 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 -171.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.538 ' HG2' ' HD2' ' A' ' 41' ' ' HIS . 51.1 Cg_endo -71.68 -32.51 11.72 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 121.539 1.493 . . . . 0.0 112.682 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.538 ' HD2' ' HG2' ' A' ' 40' ' ' PRO . 12.4 m-70 -71.62 -36.21 70.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.744 -177.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.17 -39.95 95.09 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.336 174.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -59.87 -39.79 86.45 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.494 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.23 -37.76 72.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.575 -176.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.01 -48.65 43.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.892 0.377 . . . . 0.0 111.625 175.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 55' ' ' ALA . 90.5 mt -74.32 -26.65 60.29 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -173.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -62.93 -38.01 89.3 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.139 0.495 . . . . 0.0 109.756 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -83.28 -43.64 15.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.442 176.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -140.31 88.76 11.17 Favored Pre-proline 0 N--CA 1.464 0.252 0 CA-C-O 120.942 0.401 . . . . 0.0 110.922 -174.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -81.0 -1.51 11.25 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 123.078 2.519 . . . . 0.0 113.117 -175.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -17.99 50.41 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -173.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 11.1 t80 -77.93 96.32 5.0 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.952 0.406 . . . . 0.0 111.154 -175.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.652 ' HB3' HG21 ' A' ' 91' ' ' VAL . 14.8 m -56.23 -38.61 71.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.423 -177.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.57 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 21.5 t -57.35 -36.05 51.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 121.123 0.487 . . . . 0.0 110.949 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.489 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -68.55 -28.65 67.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.862 -176.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.525 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 11.3 m0 -63.19 -47.27 83.33 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.661 0.743 . . . . 0.0 109.046 178.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.658 ' HA ' HD21 ' A' ' 95' ' ' LEU . 30.8 ttpt -65.18 -34.82 79.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.834 178.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.414 ' HD1' HG12 ' A' ' 54' ' ' VAL . 20.1 m95 -65.67 -47.02 76.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.266 175.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.47 -48.35 77.29 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.415 -178.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.09 -41.08 99.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -71.39 -26.22 62.69 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.088 0.47 . . . . 0.0 110.602 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.406 HG23 ' HD1' ' A' ' 35' ' ' PHE . 65.0 m -71.8 -42.51 66.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.558 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.55 HD12 ' HB2' ' A' ' 75' ' ' ALA . 36.6 mt -67.2 -29.76 69.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.28 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.622 ' HA ' ' HB2' ' A' ' 72' ' ' ALA . 21.2 tp60 -56.45 -50.07 72.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.731 177.011 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.51 17.05 11.97 Favored Glycine 0 CA--C 1.521 0.406 0 CA-C-N 116.012 -0.54 . . . . 0.0 113.178 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.621 ' H ' ' HG3' ' A' ' 64' ' ' GLN . 49.9 tt0 65.94 13.98 9.34 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 122.943 0.497 . . . . 0.0 110.987 -178.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.89 -44.21 0.04 OUTLIER Glycine 0 CA--C 1.521 0.46 0 C-N-CA 119.944 -1.122 . . . . 0.0 114.191 -175.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -91.31 95.91 10.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.531 0.682 . . . . 0.0 110.513 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.7 ptp85 -65.86 -29.54 70.0 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.766 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.91 -50.3 56.96 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.424 -173.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.39 -39.14 91.58 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.694 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.622 ' HB2' ' HA ' ' A' ' 64' ' ' GLN . . . -62.06 -51.98 65.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.754 0.312 . . . . 0.0 110.842 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.491 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 69.8 ttt180 -59.67 -51.05 71.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.369 -178.231 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -57.2 -38.15 73.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.136 -177.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.55 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -67.13 -44.36 80.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.347 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.527 ' HB3' HD21 ' A' ' 99' ' ' LEU . 20.0 m0 -71.02 -39.85 72.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.282 -177.264 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 73' ' ' ARG . 12.3 mm-40 -60.11 -42.62 95.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.265 0.555 . . . . 0.0 109.769 178.132 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -74.13 -43.3 57.99 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.259 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.36 -24.56 73.63 Favored Glycine 0 C--N 1.331 0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.911 -177.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.4 tp -58.72 -43.55 90.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.112 0.482 . . . . 0.0 110.256 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.08 75.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.349 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.98 90.47 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 176.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.53 -42.49 91.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.659 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -58.23 -49.4 77.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.278 177.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.2 t -63.46 -38.16 90.09 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.283 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.502 ' HG3' ' CH2' ' A' ' 56' ' ' TRP . 10.3 mmm180 -76.24 -13.21 60.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.701 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.53 22.42 78.52 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.601 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 92' ' ' VAL . 13.2 t0 -89.78 82.23 6.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.65 0.738 . . . . 0.0 109.404 -176.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -64.14 -37.25 86.79 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.312 -175.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.59 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 46.4 tt0 -55.93 -47.62 77.19 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.515 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.652 HG21 ' HB3' ' A' ' 53' ' ' SER . 75.4 t -64.91 -37.16 79.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.688 -177.516 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 88' ' ' ASP . 64.2 t -57.54 -47.98 84.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.449 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.423 ' O ' HG23 ' A' ' 97' ' ' VAL . 53.5 mtmt -67.72 -40.68 84.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.422 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 88.8 mt-10 -61.34 -48.38 81.59 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.775 0.321 . . . . 0.0 110.96 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.658 HD21 ' HA ' ' A' ' 57' ' ' LYS . 59.2 mt -67.63 -34.49 77.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.603 178.473 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -56.78 -33.98 67.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.171 178.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 93' ' ' LYS . 93.1 t -59.7 -40.62 82.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.239 0.542 . . . . 0.0 110.241 179.336 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.41 ' HB3' ' CH2' ' A' ' 76' ' ' TRP . 98.4 m-85 -67.68 -36.42 80.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.835 178.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.527 HD21 ' HB3' ' A' ' 76' ' ' TRP . 4.0 mm? -62.18 -35.6 79.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.426 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -65.68 -44.84 85.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.503 0.668 . . . . 0.0 109.89 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 101' ' ' ARG . 22.6 ttt180 -63.7 -41.62 98.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.646 177.318 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -39.19 88.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.823 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.03 -31.6 68.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.889 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -69.16 -28.89 66.82 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.546 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -75.65 -41.44 54.07 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.063 0.458 . . . . 0.0 109.819 172.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.58 -44.33 76.81 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.928 174.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.646 0 CA-C-N 114.481 -1.236 . . . . 0.0 112.499 -179.538 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.542 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 62.5 mt . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.943 0.402 . . . . 0.0 110.495 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.482 HG22 ' HA ' ' A' ' 25' ' ' LEU . 1.7 p -57.46 -37.16 72.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.475 178.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -56.3 -49.73 73.46 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 -177.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 4' ' ' ILE . 7.8 ptp180 -74.76 -32.87 62.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.191 -179.171 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.565 HD22 HD11 ' A' ' 21' ' ' LEU . 70.9 mt -67.19 -38.15 84.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.413 -178.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.82 -36.2 62.25 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.627 0.251 . . . . 0.0 111.348 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.32 -38.94 85.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.924 0.392 . . . . 0.0 110.773 177.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.5 ttm -68.68 -39.38 80.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.466 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.93 -37.17 78.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.694 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.05 -6.49 45.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.922 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -91.56 4.2 53.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.671 0.272 . . . . 0.0 110.813 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.49 37.16 11.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.77 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 m -132.24 93.99 3.37 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 -177.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.505 ' HB3' HH11 ' A' ' 22' ' ' ARG . 6.7 m-20 -93.7 -45.37 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.194 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 59.93 -159.24 0.31 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.152 -178.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 14.0 tpt -111.91 -59.2 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.085 0.469 . . . . 0.0 110.482 176.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 20' ' ' LEU . 2.2 tm? -67.32 -32.49 73.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.166 -176.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.565 HD11 HD22 ' A' ' 8' ' ' LEU . 45.8 tp -60.5 -59.83 4.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.448 -177.437 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.505 HH11 ' HB3' ' A' ' 17' ' ' ASP . 8.2 ptm180 -60.35 -28.01 67.83 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -176.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -69.67 -41.09 75.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.379 . . . . 0.0 110.67 176.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 95.2 m -57.82 -36.53 72.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.788 -176.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.482 ' HA ' HG22 ' A' ' 5' ' ' THR . 7.4 mp -65.44 -44.02 88.62 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.986 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.17 -47.94 88.42 Favored Glycine 0 C--O 1.228 -0.241 0 C-N-CA 120.861 -0.685 . . . . 0.0 113.092 -173.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -63.67 -35.95 82.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.891 0.376 . . . . 0.0 111.422 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.9 m -69.13 -36.4 77.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -68.34 -36.36 79.12 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.884 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.7 90.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 0.0 110.634 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.9 -22.4 65.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.616 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.91 18.59 7.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.897 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 67.55 23.89 8.79 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.374 0.607 . . . . 0.0 111.354 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -118.69 43.12 2.6 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 175.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -58.66 -32.11 68.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.195 -1.366 . . . . 0.0 112.286 -175.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -55.86 -48.08 76.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.223 0.535 . . . . 0.0 110.468 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.01 -27.9 61.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.948 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.08 87.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.632 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.6 mt -51.9 -54.42 40.64 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -174.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -65.12 -32.36 52.88 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 121.427 1.418 . . . . 0.0 112.343 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -72.18 -37.14 69.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.764 -178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.8 mt -71.0 -47.75 57.06 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 ttt85 -62.92 -31.59 72.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.581 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.04 -32.46 72.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.821 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.03 -46.91 64.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.919 0.39 . . . . 0.0 110.539 177.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' A' ' 55' ' ' ALA . 71.7 mt -65.29 -24.34 67.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.984 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -55.91 -41.62 74.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.127 0.489 . . . . 0.0 111.069 -179.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -81.59 -38.63 25.79 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.417 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -144.29 89.65 6.92 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.827 0.346 . . . . 0.0 110.619 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -69.22 -3.6 11.99 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 123.298 2.665 . . . . 0.0 113.375 -175.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.66 10.92 9.93 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -172.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.487 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 10.6 t80 -82.98 95.09 7.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.279 0.561 . . . . 0.0 110.365 -179.243 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.654 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 4.9 m -56.61 -33.36 66.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.08 -0.963 . . . . 0.0 112.965 -173.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.487 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 54.4 t -63.11 -36.49 76.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.013 0.435 . . . . 0.0 110.583 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.547 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -71.07 -28.77 64.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.589 -176.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.654 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 33.0 m0 -60.6 -48.38 82.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.214 0.531 . . . . 0.0 110.128 -178.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.569 ' HA ' HD21 ' A' ' 95' ' ' LEU . 38.5 ttpt -66.47 -34.94 79.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.787 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -66.13 -37.58 86.05 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.989 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 72.2 mt -56.62 -52.27 65.51 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.659 0.266 . . . . 0.0 111.481 -177.221 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.89 -39.1 97.61 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.16 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -59.01 -44.09 91.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.159 0.504 . . . . 0.0 110.963 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.3 m -70.5 -36.77 73.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.639 -177.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.36 -34.82 76.76 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.049 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -60.8 -48.61 81.04 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.204 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.97 -28.43 71.8 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.073 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -65.65 -38.05 88.26 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.145 0.497 . . . . 0.0 109.675 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.67 -10.82 4.6 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.325 -0.941 . . . . 0.0 113.577 173.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -90.27 98.61 11.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.613 0.721 . . . . 0.0 110.866 -174.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 69' ' ' ARG . 20.1 ttp180 -61.02 -43.82 98.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.743 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.497 ' O ' ' HG2' ' A' ' 74' ' ' GLN . . . -67.52 -49.22 64.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.197 -178.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.7 -43.2 96.49 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.636 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.87 -42.38 97.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.059 0.457 . . . . 0.0 110.387 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -63.02 -48.82 77.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.367 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 70' ' ' ALA . 12.8 mm-40 -65.23 -40.25 93.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.952 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.41 94.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.173 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.488 ' CH2' ' HB3' ' A' ' 98' ' ' PHE . 22.2 m0 -68.68 -36.89 79.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.417 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.42 -35.11 70.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.67 0.271 . . . . 0.0 111.287 177.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.9 m -70.24 -42.29 72.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.023 0.44 . . . . 0.0 109.842 176.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.37 -25.63 73.66 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.13 177.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.404 HD11 HG13 ' A' ' 92' ' ' VAL . 12.1 tp -62.57 -53.67 51.21 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.278 0.561 . . . . 0.0 110.081 178.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.75 -30.86 71.89 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.934 178.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.01 84.29 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.635 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -64.88 -42.25 94.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.513 177.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -58.76 -46.67 86.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.377 175.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 t -61.51 -38.96 89.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.158 178.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -79.66 -16.03 56.5 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 120.9 0.381 . . . . 0.0 111.771 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.97 13.26 72.28 Favored Glycine 0 CA--C 1.523 0.577 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.406 -177.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.403 ' O ' HG23 ' A' ' 92' ' ' VAL . 10.6 m-20 -84.32 79.29 9.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.322 0.582 . . . . 0.0 110.553 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -62.22 -36.18 81.16 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.745 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -56.1 -47.47 78.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.439 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.409 HG21 ' HB3' ' A' ' 53' ' ' SER . 53.3 t -65.79 -38.68 82.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.761 -177.125 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.449 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 90.1 t -58.39 -50.28 79.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.514 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -67.72 -35.36 78.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.343 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -58.86 -49.06 79.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.092 0.473 . . . . 0.0 110.6 173.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.569 HD21 ' HA ' ' A' ' 57' ' ' LYS . 98.7 mt -63.67 -32.82 74.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.405 -179.198 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 92' ' ' VAL . 30.0 mm-40 -56.87 -38.11 72.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.216 178.363 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.6 t -62.44 -44.85 99.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.32 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.488 ' HB3' ' CH2' ' A' ' 76' ' ' TRP . 89.1 m-85 -68.35 -38.0 81.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.213 -175.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.4 -32.44 68.62 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.953 0.406 . . . . 0.0 111.696 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -65.36 -44.9 86.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.087 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -55.35 -43.6 75.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.391 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 102' ' ' LEU . 12.4 mt -67.63 -31.65 71.8 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.251 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.08 -34.56 73.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.884 0.374 . . . . 0.0 110.443 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -73.21 -34.53 65.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.031 0.443 . . . . 0.0 110.317 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.68 -42.49 86.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.458 175.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.46 -35.06 70.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.961 -177.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.733 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.561 178.697 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.9 mt . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.841 0.353 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.8 p -59.56 -43.28 93.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.718 -177.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -69.21 -39.85 78.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.133 -174.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -73.99 -32.2 63.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.5 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.526 ' HB3' HD11 ' A' ' 25' ' ' LEU . 75.2 mt -68.03 -47.14 69.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.729 0.299 . . . . 0.0 110.923 176.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.68 -32.75 73.88 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.356 0.598 . . . . 0.0 110.399 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.19 -28.27 67.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.511 178.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.3 ttp -58.25 -25.14 61.39 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.638 -175.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.582 ' HA ' ' O ' ' A' ' 16' ' ' THR . 60.6 mt -58.04 -35.71 71.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.955 0.407 . . . . 0.0 110.808 177.511 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.44 -6.05 52.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.647 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -86.92 2.74 48.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.976 0.417 . . . . 0.0 110.688 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.41 39.07 3.8 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.967 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.582 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 24.8 m -150.09 96.01 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -115.49 106.0 13.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.966 0.412 . . . . 0.0 111.328 -176.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -147.81 165.51 30.34 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 176.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.06 -24.07 28.28 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 171.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.421 ' HA ' HD22 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -75.54 67.15 2.02 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.997 -178.615 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.51 ' O ' HG22 ' A' ' 24' ' ' THR . 4.0 pp -175.63 -34.52 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.671 -1.15 . . . . 0.0 109.222 175.506 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.792 ' HA ' HD13 ' A' ' 25' ' ' LEU . 74.0 mtt180 -70.83 -13.6 62.1 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.758 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -62.75 -40.41 97.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.582 0.23 . . . . 0.0 110.687 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 21' ' ' LEU . 14.8 t -69.82 -34.07 73.18 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.792 HD13 ' HA ' ' A' ' 22' ' ' ARG . 7.2 mp -63.26 -50.25 70.9 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 176.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.435 ' HA2' ' HD2' ' A' ' 29' ' ' TYR . . . -60.45 -43.08 99.14 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.373 -178.087 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -63.19 -38.78 92.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.751 0.31 . . . . 0.0 110.259 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.0 m -68.4 -37.68 80.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.973 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.435 ' HD2' ' HA2' ' A' ' 26' ' ' GLY . 50.3 m-85 -59.59 -47.3 86.11 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 174.253 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.09 -45.18 93.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.966 -178.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.18 -22.63 66.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.39 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -91.12 7.14 42.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 69.44 15.76 8.31 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.856 0.862 . . . . 0.0 110.744 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -95.02 43.77 1.09 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -178.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.639 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 90.6 m-85 -55.09 -34.77 63.92 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.05 -177.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -53.01 -50.69 63.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.939 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.48 -28.87 56.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.273 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.12 -38.37 85.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.585 -177.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.45 ' HB3' ' HD3' ' A' ' 40' ' ' PRO . 1.6 tt -53.58 -54.81 41.71 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.233 -173.286 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' ' 39' ' ' LEU . 45.9 Cg_endo -71.24 -30.81 15.33 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.519 1.479 . . . . 0.0 112.491 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.55 -40.46 76.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.048 0.451 . . . . 0.0 110.158 -177.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.434 HD21 ' HA3' ' A' ' 26' ' ' GLY . 79.1 mt -71.97 -45.09 62.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.738 175.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -59.21 -38.34 79.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.177 -177.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.9 -43.64 98.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.765 0.317 . . . . 0.0 110.994 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.49 -42.55 74.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.02 0.438 . . . . 0.0 110.697 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 55' ' ' ALA . 83.5 mt -64.96 -25.03 67.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.339 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.77 -33.73 76.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.916 0.388 . . . . 0.0 110.237 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -78.11 -44.12 27.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.63 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -146.83 88.07 6.09 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 121.148 0.499 . . . . 0.0 110.175 -177.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.88 -2.79 10.85 Favored 'Trans proline' 0 N--CA 1.469 0.063 0 C-N-CA 123.141 2.561 . . . . 0.0 113.488 -174.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.61 -1.64 14.31 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -173.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -78.52 88.98 4.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.481 0.658 . . . . 0.0 110.775 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.882 ' HB2' HG21 ' A' ' 91' ' ' VAL . 9.8 p -55.98 -36.73 68.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.857 -1.065 . . . . 0.0 113.172 -175.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.1 t -57.08 -36.54 51.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.071 0.462 . . . . 0.0 111.06 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.463 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -70.95 -28.63 64.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.812 -176.618 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.652 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 19.5 m0 -63.51 -47.29 82.29 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.55 0.69 . . . . 0.0 110.036 -178.35 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.55 ' HA ' HD21 ' A' ' 95' ' ' LEU . 21.5 tttt -62.26 -40.84 97.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.629 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -75.4 -28.54 59.48 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.411 ' O ' ' HB ' ' A' ' 62' ' ' THR . 6.7 tt -58.17 -41.65 84.29 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.424 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -60.65 -44.04 98.32 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.225 176.487 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -66.9 -24.69 66.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.719 0.295 . . . . 0.0 110.896 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.639 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 72.6 m -63.35 -49.52 73.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.345 178.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.41 -38.54 87.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.759 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 17.6 tm0? -60.18 -50.11 74.95 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.329 -178.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.34 -22.31 76.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.562 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.5 tm0? -69.27 -28.88 66.69 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 120.91 8.5 8.02 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.98 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -113.57 93.08 4.22 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.469 ' HD3' ' CB ' ' A' ' 105' ' ' GLU . 28.0 ttm-85 -66.25 -38.57 88.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.78 -177.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.83 84.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.389 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.39 -28.92 73.71 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.66 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.34 -50.73 62.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.664 0.269 . . . . 0.0 111.102 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 50.0 ptt85 -67.3 -41.98 84.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.478 -176.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -64.65 -33.62 76.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.935 0.398 . . . . 0.0 110.464 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.86 99.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.601 178.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.518 ' CD1' HD22 ' A' ' 95' ' ' LEU . 12.1 m0 -71.08 -37.05 72.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.859 178.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.97 -40.3 92.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.873 0.368 . . . . 0.0 110.338 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.2 t -73.6 -41.61 62.62 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.552 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.95 -28.41 73.63 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 121.273 -0.489 . . . . 0.0 112.895 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.441 HD11 HG13 ' A' ' 92' ' ' VAL . 12.5 tp -59.42 -49.16 78.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.076 0.465 . . . . 0.0 110.155 178.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.12 71.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.599 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.34 96.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.022 0.439 . . . . 0.0 110.104 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.27 -41.16 73.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.49 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -58.27 -41.85 85.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.972 176.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.0 m -56.22 -39.58 72.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.107 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.8 mmt-85 -90.22 -13.46 35.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.885 0.374 . . . . 0.0 111.785 178.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.73 38.13 57.03 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.647 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.501 ' O ' HG23 ' A' ' 92' ' ' VAL . 10.2 t0 -92.39 88.24 6.32 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.512 0.672 . . . . 0.0 109.206 -179.238 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -60.31 -35.67 76.13 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.282 -176.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -56.82 -48.25 78.42 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.789 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.882 HG21 ' HB2' ' A' ' 53' ' ' SER . 98.0 t -70.58 -37.66 70.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.709 -177.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 88' ' ' ASP . 91.2 t -58.17 -51.06 75.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.307 177.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -61.81 -39.65 92.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.336 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -58.65 -49.41 77.62 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.16 0.505 . . . . 0.0 111.224 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' A' ' 57' ' ' LYS . 90.7 mt -67.86 -32.33 72.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.224 -177.243 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' ' 92' ' ' VAL . 19.5 mm-40 -56.8 -37.37 71.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.826 176.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.72 -41.83 85.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 121.034 0.445 . . . . 0.0 110.508 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -65.48 -32.86 74.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.351 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.47 -35.61 79.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.063 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 27.1 mtt180 -71.45 -44.82 64.09 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.903 0.858 . . . . 0.0 109.076 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -56.49 -47.99 78.08 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 113.654 -1.612 . . . . 0.0 110.752 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.99 -42.69 76.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.442 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.78 -37.83 74.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.507 -177.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -61.71 -33.77 74.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.16 177.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.469 ' CB ' ' HD3' ' A' ' 69' ' ' ARG . 54.9 mt-10 -75.34 -47.26 28.5 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 120.68 0.276 . . . . 0.0 111.129 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -67.23 -37.0 82.84 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.102 0.477 . . . . 0.0 110.396 -176.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.39 178.017 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.469 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 81.4 mt . . . . . 0 CA--C 1.53 0.176 0 CA-C-O 120.968 0.413 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.484 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 17.8 p -61.53 -49.55 76.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.153 -176.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -65.44 -37.93 88.37 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -175.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 4' ' ' ILE . 8.2 ppt_? -72.11 -31.0 65.64 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.61 -0.436 . . . . 0.0 109.933 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.571 ' HB3' HD11 ' A' ' 25' ' ' LEU . 63.0 mt -64.43 -45.26 88.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.199 171.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 5' ' ' THR . 43.5 mt-10 -59.96 -36.08 76.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.693 177.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.39 72.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.28 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 86.0 mtp -60.86 -33.27 72.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.892 0.377 . . . . 0.0 110.558 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.48 -30.66 61.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.951 0.405 . . . . 0.0 110.174 176.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.13 -37.4 69.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.052 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -77.46 -8.43 57.75 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.411 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.23 21.48 29.78 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.762 -0.732 . . . . 0.0 113.552 173.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 m -96.58 45.83 1.06 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.585 0.707 . . . . 0.0 110.088 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -73.42 143.05 46.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.835 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.468 ' O ' ' HB2' ' A' ' 19' ' ' MET . 21.3 m-80 -147.06 -13.97 0.41 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.0 -175.112 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.468 ' HB2' ' O ' ' A' ' 18' ' ' ASN . 72.6 mmm 73.68 -50.0 0.69 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.966 -173.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.91 60.25 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.689 . . . . 0.0 110.15 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -160.69 -48.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.411 -177.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.913 ' HA ' HD13 ' A' ' 25' ' ' LEU . 4.2 ptp85 -69.95 -10.07 57.29 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -69.54 -31.86 70.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.092 0.472 . . . . 0.0 110.74 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.5 m -66.45 -34.0 76.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.158 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.913 HD13 ' HA ' ' A' ' 22' ' ' ARG . 8.3 mp -56.75 -45.82 81.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.029 -178.566 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.477 ' HA3' HD21 ' A' ' 42' ' ' LEU . . . -64.2 -33.13 86.42 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.375 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.97 -46.78 89.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.42 0.153 . . . . 0.0 111.147 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.8 m -57.81 -42.04 83.43 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.451 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -62.9 -42.88 99.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.949 0.404 . . . . 0.0 110.122 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.51 -37.71 80.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.134 -177.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -71.11 -22.44 62.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.185 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -88.59 7.72 31.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.615 175.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 63.64 20.87 12.46 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.718 -178.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -108.0 71.94 0.83 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.511 ' HB2' ' HB2' ' A' ' 66' ' ' GLN . 83.2 m-85 -67.48 -34.44 77.17 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.644 -177.013 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.48 -37.73 65.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.018 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.15 -27.87 61.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.166 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.6 -37.54 73.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.414 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.417 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 7.6 mp -49.7 -54.45 31.39 Favored Pre-proline 0 N--CA 1.472 0.671 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -173.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 18.7 Cg_endo -61.7 -40.43 45.93 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 121.811 1.674 . . . . 0.0 112.842 -176.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -72.09 -41.69 67.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.898 -177.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.477 HD21 ' HA3' ' A' ' 26' ' ' GLY . 89.3 mt -67.0 -42.09 85.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.684 179.457 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -67.28 -31.28 71.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.299 -178.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.35 96.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.477 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.405 ' HB2' ' HD3' ' A' ' 22' ' ' ARG . . . -65.45 -37.48 87.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.645 178.102 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.445 HD11 HD21 ' A' ' 59' ' ' LEU . 96.4 mt -64.85 -25.09 67.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.177 178.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -71.12 -37.32 72.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.312 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -78.73 -43.8 24.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.104 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -145.06 88.76 6.69 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-O 121.07 0.462 . . . . 0.0 110.717 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -68.23 -3.93 11.75 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 123.042 2.494 . . . . 0.0 112.4 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.37 6.59 44.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.929 -177.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.493 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 12.4 t80 -72.82 93.62 1.71 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.33 -179.332 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.607 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 28.3 p -59.58 -34.5 72.8 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.51 -174.399 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.493 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 85.3 t -62.59 -36.6 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.004 0.431 . . . . 0.0 110.587 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.574 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -70.51 -32.33 69.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.024 -177.553 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.607 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 39.0 m0 -57.33 -47.38 81.72 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.167 0.508 . . . . 0.0 109.817 179.397 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.905 ' HA ' HD21 ' A' ' 95' ' ' LEU . 35.2 ttpt -66.15 -37.0 84.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.385 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -67.92 -34.33 76.42 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 88.8 mt -56.39 -52.27 65.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.584 0.23 . . . . 0.0 111.521 -177.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.425 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -61.11 -42.42 99.78 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.279 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -59.33 -45.54 91.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.955 0.407 . . . . 0.0 111.094 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.3 m -64.29 -49.12 73.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.657 -175.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 59' ' ' LEU . 3.9 mm? -61.33 -46.0 92.07 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.223 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -62.68 -40.45 97.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.542 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.76 -42.16 98.66 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.355 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.511 ' HB2' ' HB2' ' A' ' 35' ' ' PHE . 56.3 tp60 -66.93 -38.14 85.62 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.977 0.418 . . . . 0.0 110.474 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.83 18.16 2.19 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.972 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -107.98 86.69 2.34 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 69' ' ' ARG . 27.1 ttp85 -65.4 -34.98 79.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.984 -177.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.36 -46.78 72.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.567 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.94 -36.62 93.29 Favored Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.804 177.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.49 -50.32 74.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.615 0.245 . . . . 0.0 110.427 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -59.87 -43.62 94.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.447 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -56.84 -45.61 82.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.085 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.08 -40.39 86.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.556 ' CD1' HD22 ' A' ' 95' ' ' LEU . 12.7 m0 -64.82 -48.37 74.62 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.674 -179.118 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.19 -38.53 90.76 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.93 0.395 . . . . 0.0 110.789 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 t -65.66 -47.9 73.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.222 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.64 -27.89 72.84 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.14 -0.553 . . . . 0.0 112.38 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 76' ' ' TRP . 9.0 tp -64.28 -53.94 41.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 0.0 110.187 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.2 -30.86 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.519 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 86' ' ' ARG . . . -64.94 -44.5 89.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.036 0.446 . . . . 0.0 109.811 176.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.423 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -69.66 -38.13 76.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.767 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.481 ' OE1' HG21 ' A' ' 92' ' ' VAL . 14.5 mm100 -60.88 -44.6 96.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 110.762 175.217 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.6 t -66.43 -34.77 78.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.557 177.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 82' ' ' ALA . 1.8 tmt_? -75.57 -14.17 60.38 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 122.942 0.497 . . . . 0.0 111.108 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.32 28.27 64.24 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.115 -177.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -105.7 87.86 2.69 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.357 0.599 . . . . 0.0 109.476 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -64.35 -36.4 84.02 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.192 -178.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.65 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 35.5 tt0 -56.54 -48.22 77.76 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 -178.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.88 -39.04 83.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 120.958 0.409 . . . . 0.0 110.653 -176.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.481 HG21 ' OE1' ' A' ' 84' ' ' GLN . 66.2 t -59.27 -51.44 72.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.55 177.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -67.66 -30.17 69.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.728 -177.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.65 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 42.2 mt-10 -64.96 -49.6 69.68 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.899 0.381 . . . . 0.0 110.3 175.13 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.905 HD21 ' HA ' ' A' ' 57' ' ' LYS . 67.6 mt -66.67 -31.64 72.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.132 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.546 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 35.0 tt0 -56.55 -36.41 69.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.993 177.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.19 -40.88 84.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 110.282 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.408 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 97.3 m-85 -66.82 -37.06 83.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.724 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.63 -33.05 75.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.246 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 32.1 mtm-85 -69.12 -47.09 66.03 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.404 0.621 . . . . 0.0 110.065 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -61.67 -41.03 97.0 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.063 175.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.9 tp -58.53 -34.35 70.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.124 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.96 -36.55 83.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -68.23 -40.71 81.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.974 177.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.29 -40.79 90.27 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.286 177.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -56.8 -44.7 82.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.947 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.914 -178.833 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.555 HG22 ' HG ' ' A' ' 8' ' ' LEU . 38.0 mm . . . . . 0 N--CA 1.469 0.499 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.9 t -55.86 -32.52 63.71 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -173.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.4 -40.52 67.15 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 118.632 0.651 . . . . 0.0 111.031 -175.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -73.5 -31.02 63.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 0.0 110.238 177.878 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.555 ' HG ' HG22 ' A' ' 4' ' ' ILE . 98.9 mt -63.64 -43.98 95.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.128 0.49 . . . . 0.0 109.734 172.138 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -62.49 -32.09 72.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.444 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -61.33 -43.18 99.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.993 177.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.7 mtm -64.9 -36.3 83.93 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.209 0.528 . . . . 0.0 110.081 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.24 -40.47 90.36 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 176.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.31 -7.9 50.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.775 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 82.5 mm-40 -97.02 8.39 44.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.986 0.422 . . . . 0.0 110.139 176.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.39 25.21 48.4 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.275 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.0 m -104.12 80.93 1.78 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.336 0.589 . . . . 0.0 109.989 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -91.38 105.58 17.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.224 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.492 ' HB2' ' HB2' ' A' ' 21' ' ' LEU . 7.4 m120 -117.45 148.26 41.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.342 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 15.5 tpt -64.74 -41.44 95.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.928 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.26 20.22 2.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.797 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.492 ' HB2' ' HB2' ' A' ' 18' ' ' ASN . 47.9 tp -113.49 -52.43 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.878 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -53.27 -41.25 65.36 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.116 0.484 . . . . 0.0 110.826 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -68.24 -40.34 82.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.832 -178.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.3 m -64.4 -36.59 84.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.431 -177.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 mp -60.88 -44.93 96.4 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.817 0.341 . . . . 0.0 110.197 175.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.25 -43.92 98.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.098 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HE3' ' NE1' ' A' ' 58' ' ' TRP . 12.1 mmmm -56.94 -45.41 82.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.007 0.432 . . . . 0.0 110.912 178.007 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.8 m -69.25 -41.01 77.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.451 -175.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -66.58 -41.77 88.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.928 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.6 90.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.326 . . . . 0.0 110.92 -176.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -58.16 -32.15 67.93 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.143 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -100.04 22.26 11.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.174 -176.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 75.17 9.77 3.79 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.299 0.571 . . . . 0.0 111.593 171.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.516 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 5.9 tp60 -91.86 48.46 1.44 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.612 0.72 . . . . 0.0 109.122 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -50.49 -34.37 24.79 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.437 -175.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -52.2 -48.93 64.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.04 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.19 -27.14 59.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.462 -175.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.81 -38.87 73.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.65 -177.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.419 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 5.3 mp -52.44 -54.38 42.93 Favored Pre-proline 0 N--CA 1.47 0.572 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -173.713 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 25.2 Cg_endo -64.27 -33.81 58.18 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 121.697 1.598 . . . . 0.0 112.477 -178.135 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -71.75 -46.35 58.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.43 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.36 -36.29 78.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.715 0.293 . . . . 0.0 110.839 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -63.42 -42.17 98.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.116 178.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.25 -43.32 91.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.755 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.66 -44.62 96.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 111.207 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.421 HD21 ' HB3' ' A' ' 55' ' ' ALA . 43.7 mt -67.42 -25.88 66.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.329 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.24 -40.34 74.51 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.119 0.485 . . . . 0.0 109.898 176.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -74.11 -44.44 53.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.104 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -151.05 88.73 4.41 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-O 121.024 0.44 . . . . 0.0 111.034 -175.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -68.2 -3.41 10.73 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 123.442 2.761 . . . . 0.0 113.66 -175.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 t -79.73 -7.94 58.93 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -174.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -75.51 96.46 3.49 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.034 0.445 . . . . 0.0 111.423 -178.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.656 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 10.9 p -60.1 -31.41 70.02 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.992 -179.049 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.6 t -57.69 -36.59 55.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.373 177.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.421 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -69.78 -40.4 76.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.511 -178.07 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.656 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 3.5 m0 -60.98 -47.79 84.81 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.773 0.797 . . . . 0.0 109.505 -179.085 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.964 ' HA ' HD21 ' A' ' 95' ' ' LEU . 72.0 tttt -65.47 -42.55 92.16 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.507 -1.224 . . . . 0.0 111.921 -176.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.402 ' NE1' ' HE3' ' A' ' 27' ' ' LYS . 42.5 m95 -74.32 -33.98 63.34 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.404 HD13 HD23 ' A' ' 63' ' ' LEU . 1.4 tm? -60.9 -44.13 97.57 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.438 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.471 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -61.85 -43.94 98.53 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.39 176.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -58.15 -41.18 83.21 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.003 0.43 . . . . 0.0 110.721 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.1 m -62.49 -49.23 76.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.322 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.404 HD23 HD13 ' A' ' 59' ' ' LEU . 3.6 mm? -68.22 -34.52 76.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.596 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -67.18 -38.52 85.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.969 0.414 . . . . 0.0 110.163 176.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.91 -26.91 71.55 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.558 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -84.06 -28.51 27.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.948 0.404 . . . . 0.0 110.217 177.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.26 44.29 4.73 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.355 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -112.72 103.56 11.59 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -57.67 -49.72 75.56 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.944 -174.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.77 -47.76 65.4 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -177.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.8 -40.93 97.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.873 -176.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.22 -47.43 70.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.863 0.363 . . . . 0.0 110.59 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -62.36 -38.34 89.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.005 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -56.96 -45.92 82.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.344 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.65 -43.38 80.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.645 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.55 ' CD1' HD22 ' A' ' 95' ' ' LEU . 11.6 m0 -66.38 -48.75 69.13 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -64.17 -35.33 80.43 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.925 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.6 m -70.8 -43.3 68.96 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 177.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.45 -30.63 62.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.387 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.58 -49.0 76.99 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.17 -34.08 74.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.064 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.84 96.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.01 0.433 . . . . 0.0 109.878 176.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.43 -38.37 84.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.632 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -58.11 -51.16 70.86 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.155 174.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.9 m -57.45 -39.17 75.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.497 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -79.23 -12.55 59.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.655 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.07 29.51 72.28 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.039 -176.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.457 ' O ' HG23 ' A' ' 92' ' ' VAL . 8.4 t70 -99.04 83.84 2.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.396 0.617 . . . . 0.0 109.859 -177.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -63.48 -30.88 71.93 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.12 -0.946 . . . . 0.0 112.32 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -57.54 -48.22 79.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.402 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.476 HG21 ' HB2' ' A' ' 53' ' ' SER . 74.1 t -68.29 -38.09 78.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.77 0.319 . . . . 0.0 110.774 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 88' ' ' ASP . 97.0 t -57.96 -48.76 83.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.226 178.155 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.481 ' O ' HG23 ' A' ' 97' ' ' VAL . 59.5 mtmt -67.7 -32.12 72.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.892 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -63.49 -50.66 68.78 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 121.077 0.465 . . . . 0.0 111.129 175.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.964 HD21 ' HA ' ' A' ' 57' ' ' LYS . 69.3 mt -69.49 -32.09 70.76 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.83 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.531 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 36.1 tt0 -56.97 -37.94 72.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.022 177.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 93' ' ' LYS . 91.5 t -60.96 -44.82 98.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 121.004 0.43 . . . . 0.0 110.625 177.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.406 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 66.8 m-85 -67.28 -31.01 71.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.991 -179.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' A' ' 76' ' ' TRP . 93.4 mt -63.58 -38.17 90.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.64 177.208 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 21.2 mmt180 -64.85 -49.63 69.83 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 121.816 0.817 . . . . 0.0 109.628 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -56.59 -41.43 76.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.196 -1.366 . . . . 0.0 111.103 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.507 ' HG ' ' HZ3' ' A' ' 76' ' ' TRP . 3.2 tm? -60.86 -43.72 97.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.367 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.04 -32.6 73.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.354 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 73.6 mtt-85 -70.93 -39.96 72.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.669 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -65.91 -39.42 90.57 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.09 175.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.27 -49.02 75.42 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.654 174.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.183 -177.852 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.472 ' O ' HD23 ' A' ' 8' ' ' LEU . 65.8 mt . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 121.302 0.572 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.504 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 17.6 m -60.51 -52.74 63.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.429 -176.16 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -69.17 -38.13 78.56 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -172.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -64.92 -37.26 87.06 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.385 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.533 ' HA ' ' HG2' ' A' ' 11' ' ' MET . 3.8 mm? -67.26 -41.75 85.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.028 176.508 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 5' ' ' THR . 51.5 mm-40 -56.37 -44.63 80.36 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.892 0.377 . . . . 0.0 110.772 177.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.58 -48.87 65.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.45 -178.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.533 ' HG2' ' HA ' ' A' ' 8' ' ' LEU . 26.7 ptm -69.93 -32.17 70.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.582 0.23 . . . . 0.0 111.185 -174.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.38 -44.73 96.66 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 177.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.71 -21.98 64.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.427 -178.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -78.53 -9.52 59.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.899 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.97 26.66 5.43 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.726 -0.749 . . . . 0.0 113.053 177.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.5 m -108.96 79.56 1.23 Allowed 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.144 0.497 . . . . 0.0 110.819 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -91.09 92.05 8.54 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.443 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 15.4 t-20 -85.5 170.38 12.7 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.506 -174.3 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.9 ttt -76.1 -50.93 13.34 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.371 -176.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.554 HD23 ' H ' ' A' ' 20' ' ' LEU . 2.6 pt? -85.04 15.3 4.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.747 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.701 ' HB3' HH11 ' A' ' 22' ' ' ARG . 0.3 OUTLIER -56.24 -42.14 76.87 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.932 -179.614 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.701 HH11 ' HB3' ' A' ' 21' ' ' LEU . 4.6 mpt_? -69.63 -40.45 76.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.547 -177.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -69.92 -42.43 73.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.312 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 t -64.29 -34.59 78.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.184 -175.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.2 mt -71.82 -36.65 70.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.945 0.402 . . . . 0.0 110.475 175.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.477 ' HA2' ' HD2' ' A' ' 29' ' ' TYR . . . -60.88 -28.37 68.38 Favored Glycine 0 C--N 1.332 0.354 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.528 179.513 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.456 ' HE2' ' CZ2' ' A' ' 58' ' ' TRP . 16.2 mmtp -56.14 -49.86 72.74 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.765 0.317 . . . . 0.0 111.056 177.08 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.5 m -67.69 -33.72 75.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.242 -176.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.477 ' HD2' ' HA2' ' A' ' 26' ' ' GLY . 48.8 m-85 -66.89 -46.35 75.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.748 0.308 . . . . 0.0 110.18 176.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.79 -41.87 74.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.217 -175.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -68.46 -22.58 64.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.07 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -96.51 18.07 14.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 110.968 175.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 68.68 15.4 9.05 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.824 172.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -97.93 71.11 2.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.376 0.608 . . . . 0.0 109.91 175.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 93.2 m-85 -67.33 -30.72 70.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.514 179.045 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -56.82 -48.42 78.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.586 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.64 -32.1 62.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.366 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.47 -38.69 71.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.839 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.446 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 1.8 tt -51.81 -53.76 47.52 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -172.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 18.8 Cg_endo -59.71 -33.69 96.38 Favored 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 122.106 1.871 . . . . 0.0 112.734 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -71.56 -44.41 64.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.638 0.256 . . . . 0.0 110.718 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.65 -38.99 88.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.727 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 43' ' ' ARG . 32.3 ttt85 -61.98 -42.76 99.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.711 0.291 . . . . 0.0 110.603 177.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.47 -34.95 77.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.883 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.92 -47.53 62.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.011 177.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.0 mt -65.38 -29.05 69.73 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 111.892 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.2 -45.53 92.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.263 0.554 . . . . 0.0 110.298 176.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -83.31 -39.1 21.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.252 -177.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -120.0 86.54 37.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.938 0.399 . . . . 0.0 111.262 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.65 -4.24 14.97 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.924 2.416 . . . . 0.0 111.905 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.62 5.86 43.98 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -177.394 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.599 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 10.0 t80 -88.12 86.76 7.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.021 0.439 . . . . 0.0 110.059 179.298 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.591 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 3.8 m -48.71 -42.05 33.8 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.268 -178.306 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.599 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 38.2 t -58.8 -35.93 58.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.137 -178.37 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.9 -31.2 64.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.504 -176.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.591 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 6.9 m0 -61.88 -47.96 82.67 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 176.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.616 ' HE3' ' HB3' ' A' ' 94' ' ' GLU . 29.9 tttm -66.12 -36.86 84.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.553 -177.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.456 ' CZ2' ' HE2' ' A' ' 27' ' ' LYS . 23.0 m95 -74.85 -31.38 61.62 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 178.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -60.33 -45.25 94.1 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.65 -41.06 99.87 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.995 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -62.62 -36.19 81.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.844 0.354 . . . . 0.0 111.311 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.414 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 58.4 m -64.95 -42.37 94.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.604 179.019 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.27 -32.62 71.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.481 178.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -59.17 -49.38 78.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.383 175.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.45 -27.06 68.48 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.537 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -71.61 -16.6 62.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.075 0.465 . . . . 0.0 110.455 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.61 22.98 48.66 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.455 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -109.69 89.29 2.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -66.37 -31.37 72.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.17 -176.921 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.01 -49.53 60.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.321 . . . . 0.0 110.786 -178.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.4 -40.72 96.44 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.865 178.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.14 -41.95 85.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.893 0.378 . . . . 0.0 110.707 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -55.67 -51.9 65.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.274 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -70.62 -36.56 73.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.461 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.38 -40.68 89.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.611 -177.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.535 ' CD1' HD22 ' A' ' 95' ' ' LEU . 12.0 m0 -66.68 -35.66 80.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.922 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 73' ' ' ARG . 35.8 mt-10 -60.01 -40.51 89.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.051 0.453 . . . . 0.0 110.178 174.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.1 t -71.77 -37.45 70.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.125 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.09 -39.86 94.84 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.201 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.5 -47.86 84.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.33 0.11 . . . . 0.0 110.913 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.49 -32.6 74.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.697 0.284 . . . . 0.0 111.075 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.414 ' O ' ' HD2' ' A' ' 86' ' ' ARG . . . -66.97 -45.31 78.09 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.56 -39.49 84.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.803 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -61.4 -44.63 96.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.127 176.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.2 t -64.32 -38.98 92.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.642 178.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.414 ' HD2' ' O ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -76.05 -14.0 60.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.63 0.252 . . . . 0.0 111.469 177.308 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.54 18.28 79.87 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.445 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 92' ' ' VAL . 9.1 t0 -85.73 90.14 7.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.718 0.771 . . . . 0.0 109.767 -176.129 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -60.49 -41.54 94.46 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.331 -1.304 . . . . 0.0 112.108 -178.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.5 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 40.8 tt0 -56.69 -47.82 79.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.369 -177.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 68.9 t -66.6 -37.89 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.656 -174.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 88' ' ' ASP . 67.0 t -58.88 -45.45 91.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.187 177.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.452 ' O ' HG23 ' A' ' 97' ' ' VAL . 55.9 mtmt -67.53 -41.92 83.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.968 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.616 ' HB3' ' HE3' ' A' ' 57' ' ' LYS . 30.2 mt-10 -62.6 -49.05 76.74 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.784 0.326 . . . . 0.0 111.313 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.611 HD21 ' HA ' ' A' ' 57' ' ' LYS . 51.0 mt -66.78 -32.84 74.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.035 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.502 ' HA ' HD12 ' A' ' 99' ' ' LEU . 36.3 tt0 -61.66 -30.69 70.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.684 179.261 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 93' ' ' LYS . 99.1 t -62.0 -41.66 91.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.569 177.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.431 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 45.5 m-85 -67.15 -34.76 78.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.685 -179.064 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 96' ' ' GLN . 97.5 mt -58.45 -37.24 75.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.231 179.271 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.455 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 16.0 mtt-85 -64.51 -45.27 87.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 109.831 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -66.18 -38.72 88.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.855 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.86 -43.21 93.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.441 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.83 -32.34 71.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.649 -178.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 98.2 mtt180 -59.37 -40.27 85.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.745 0.307 . . . . 0.0 111.026 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -69.36 -42.78 74.77 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.769 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.09 -46.6 86.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.283 0.563 . . . . 0.0 110.526 178.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 114.736 -1.12 . . . . 0.0 112.104 -177.849 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -71.55 171.12 11.97 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.166 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 73.53 114.23 0.06 Allowed 'General case' 0 N--CA 1.465 0.312 0 O-C-N 124.072 0.858 . . . . 0.0 110.912 -177.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.469 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 51.1 mm -63.66 -38.05 81.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.076 -177.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.447 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 11.6 p -59.07 -46.3 88.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.336 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -60.8 -44.44 96.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.998 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -73.26 -32.03 64.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.601 0.239 . . . . 0.0 111.321 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 50.9 mt -66.64 -34.02 76.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.085 177.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 5' ' ' THR . 63.1 mm-40 -51.64 -32.84 30.85 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.381 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.86 -49.53 75.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.432 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.43 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 24.3 ptm -76.06 -26.87 56.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.73 0.3 . . . . 0.0 111.175 -177.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.34 -32.89 74.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.381 174.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.14 -6.65 53.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.093 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -92.45 0.48 57.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.331 . . . . 0.0 110.966 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.81 22.71 57.45 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.725 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.6 m -93.55 75.08 4.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.563 0.696 . . . . 0.0 109.744 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -81.46 93.3 6.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.541 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.726 ' HB2' HD13 ' A' ' 21' ' ' LEU . 6.4 m-20 -111.9 168.19 9.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.261 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.3 ttt -69.16 -58.04 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.655 -176.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 20' ' ' LEU . 3.8 mm? -65.04 -27.6 68.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.48 -173.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.726 HD13 ' HB2' ' A' ' 18' ' ' ASN . 11.1 mp -61.92 -30.01 70.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.027 0.441 . . . . 0.0 110.736 178.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.5 mtt-85 -70.25 -43.05 71.35 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -69.75 -49.12 56.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.289 -175.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.1 m -56.33 -43.42 79.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.663 0.268 . . . . 0.0 111.418 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.16 -36.27 83.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.014 0.435 . . . . 0.0 111.011 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.4 -37.76 62.61 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.339 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -58.31 -41.32 84.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.73 0.3 . . . . 0.0 111.007 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 m -59.32 -39.75 84.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.34 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -64.72 -42.23 95.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.991 0.424 . . . . 0.0 110.399 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.14 -35.55 74.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.358 -176.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -68.53 -31.23 70.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.736 0.303 . . . . 0.0 110.878 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -84.59 6.84 22.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.459 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.416 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 24.6 mt-10 61.66 25.35 15.27 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.239 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.578 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 5.1 tp60 -96.26 47.48 1.08 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.989 0.9 . . . . 0.0 108.642 177.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.692 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 81.1 m-85 -55.98 -28.76 58.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.685 -176.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -58.73 -49.37 77.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.342 0.591 . . . . 0.0 110.479 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.566 ' HB3' ' HG3' ' A' ' 34' ' ' GLN . . . -74.19 -27.26 60.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.687 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.78 86.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.334 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.3 mt -51.24 -54.5 37.61 Favored Pre-proline 0 N--CA 1.468 0.44 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -174.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -63.53 -37.67 46.57 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 121.77 1.647 . . . . 0.0 112.314 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -70.98 -43.99 66.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.822 -176.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.77 -36.09 75.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.813 0.339 . . . . 0.0 110.607 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -63.74 -40.17 96.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.582 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.29 -39.94 92.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.629 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.88 -45.78 77.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.942 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.7 -26.02 67.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.868 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -67.28 -40.46 86.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.075 0.464 . . . . 0.0 110.25 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -82.04 -45.0 15.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.284 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.86 86.31 13.64 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 121.752 0.787 . . . . 0.0 111.36 -177.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -80.13 -3.81 12.87 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.855 2.37 . . . . 0.0 113.01 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.1 p -91.25 15.1 12.61 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -174.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.547 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 19.0 t80 -90.88 99.5 12.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.131 0.491 . . . . 0.0 110.428 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.643 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 7.7 p -52.06 -45.18 64.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.129 -0.942 . . . . 0.0 113.318 -176.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.547 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 21.2 t -58.63 -35.51 55.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.874 0.368 . . . . 0.0 110.719 -178.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.89 -38.01 89.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.026 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.643 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 8.5 m0 -60.08 -41.58 92.74 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.783 0.801 . . . . 0.0 109.284 178.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.888 ' HA ' HD21 ' A' ' 95' ' ' LEU . 58.4 tttm -65.22 -35.6 81.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.446 -1.252 . . . . 0.0 111.356 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 87.6 m95 -72.84 -37.76 67.33 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 121.21 -0.196 . . . . 0.0 110.929 176.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.75 -44.6 81.91 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.104 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.456 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -56.76 -44.27 91.77 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.044 176.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.483 ' HA ' ' HG2' ' A' ' 64' ' ' GLN . 43.9 mtpt -66.31 -26.49 67.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 111.373 177.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.692 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 33.3 m -66.62 -49.23 66.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.977 -177.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.5 -41.8 96.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.704 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.483 ' HG2' ' HA ' ' A' ' 61' ' ' LYS . 3.4 pt20 -69.08 -36.0 77.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.909 0.385 . . . . 0.0 110.57 -178.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.423 ' HA3' ' CE2' ' A' ' 35' ' ' PHE . . . -72.13 -34.59 61.35 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.902 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -63.07 -35.73 81.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.323 0.582 . . . . 0.0 109.75 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.25 25.89 5.11 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.426 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -114.08 99.99 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.102 0.477 . . . . 0.0 109.853 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.547 ' HG3' HD11 ' A' ' 102' ' ' LEU . 41.2 ttm105 -65.26 -38.64 90.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.398 -176.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.29 -45.98 74.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.922 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.95 -40.74 97.32 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.388 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.57 97.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.839 0.352 . . . . 0.0 110.663 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -56.12 -52.75 63.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.528 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -66.44 -34.8 78.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.152 -176.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.87 -50.04 73.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.45 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.58 ' CD1' HD22 ' A' ' 95' ' ' LEU . 11.1 m0 -66.85 -36.56 82.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.264 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -60.22 -38.38 83.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.996 0.427 . . . . 0.0 110.796 175.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 m -73.55 -43.86 58.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.926 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.04 -25.08 74.56 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 121.055 -0.593 . . . . 0.0 113.231 -176.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.1 tp -59.47 -53.22 60.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.219 0.533 . . . . 0.0 110.484 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.55 -29.79 70.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.294 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.51 88.76 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.541 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -67.97 -36.93 80.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.799 178.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.31 -46.37 90.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.028 174.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.7 t -64.51 -27.45 68.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.205 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.629 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 24.1 mmm180 -89.12 -8.29 54.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.31 . . . . 0.0 111.559 176.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.81 28.72 71.66 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.193 -0.527 . . . . 0.0 112.793 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.457 ' O ' HG23 ' A' ' 92' ' ' VAL . 7.0 t70 -101.61 86.54 2.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.455 0.645 . . . . 0.0 109.932 -178.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -59.7 -35.58 74.77 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.732 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.575 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 62.1 tt0 -57.99 -48.34 80.3 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.179 0.299 . . . . 0.0 110.672 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.2 t -68.8 -37.69 77.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.642 -176.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 88' ' ' ASP . 94.4 t -57.47 -50.7 76.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.079 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.516 ' O ' HG23 ' A' ' 97' ' ' VAL . 59.4 mtmt -67.94 -39.6 83.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.83 -178.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 25.4 mt-10 -59.09 -49.55 77.45 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.949 0.404 . . . . 0.0 111.119 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.888 HD21 ' HA ' ' A' ' 57' ' ' LYS . 60.9 mt -69.77 -33.75 72.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.83 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.699 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 28.8 tt0 -59.96 -42.19 93.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 93' ' ' LYS . 97.5 t -59.96 -45.53 95.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 120.954 0.406 . . . . 0.0 110.917 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -65.6 -38.61 89.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.589 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.513 HD13 ' HB2' ' A' ' 76' ' ' TRP . 53.1 tp -62.5 -32.75 73.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.145 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.699 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 1.1 mmp_? -71.14 -48.89 49.34 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 121.326 0.584 . . . . 0.0 109.884 178.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -57.49 -38.87 75.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.214 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.547 HD11 ' HG3' ' A' ' 69' ' ' ARG . 33.8 tp -64.45 -37.48 87.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.233 0.54 . . . . 0.0 110.509 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.41 -30.34 71.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.224 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 86.0 mtt-85 -65.12 -28.92 69.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.206 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -74.22 -39.58 63.0 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.005 0.431 . . . . 0.0 110.107 174.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 110' ' ' HIS . 19.2 t70 -59.24 -39.97 84.47 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.761 0.791 . . . . 0.0 109.405 174.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.73 ' HA ' ' H ' ' A' ' 112' ' ' HIS . . . -55.48 -28.53 55.07 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.794 177.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 94.4 mt -81.04 -54.19 5.76 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -84.34 -30.61 25.36 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.531 0.682 . . . . 0.0 112.233 -172.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 106' ' ' ASP . 12.4 t-80 -105.2 3.67 30.39 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.374 -176.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.443 ' HA ' ' O ' ' A' ' 107' ' ' ALA . 19.1 t60 47.55 58.98 4.43 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.869 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.73 ' H ' ' HA ' ' A' ' 107' ' ' ALA . 77.6 t60 -97.48 15.46 23.12 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 169.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -62.31 149.52 41.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.098 -1.41 . . . . 0.0 110.24 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -56.88 -27.71 60.89 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.004 0.431 . . . . 0.0 110.889 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.621 -0.704 . . . . 0.0 109.25 175.02 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.482 1.163 0 CA-C-O 120.693 0.282 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -133.18 146.76 51.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.151 0.501 . . . . 0.0 109.943 175.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.15 81.3 1.7 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.53 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.461 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 63.8 mt -60.15 -40.49 83.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.337 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.3 t -59.1 -31.83 69.27 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.216 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -65.51 -46.75 78.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.007 0.432 . . . . 0.0 111.023 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 4' ' ' ILE . 7.3 ppt_? -73.3 -31.25 63.92 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.782 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.595 ' HB3' HD11 ' A' ' 25' ' ' LEU . 77.3 mt -64.46 -41.74 96.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.551 175.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -66.41 -33.88 76.7 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.322 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.89 -47.57 85.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.077 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 88.0 mtp -61.45 -36.8 81.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.619 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 16' ' ' THR . 31.8 tp -58.41 -46.77 85.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.049 175.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.47 -15.33 59.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.658 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -83.32 5.43 23.32 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.02 38.73 1.8 Allowed Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.838 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.442 ' O ' HD12 ' A' ' 12' ' ' LEU . 12.3 m -136.43 56.94 1.79 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.336 0.589 . . . . 0.0 109.486 173.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -68.33 82.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.07 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.456 ' HB3' ' HB3' ' A' ' 21' ' ' LEU . 25.0 t-20 -117.75 155.93 29.16 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.472 -171.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 23.3 ttt -81.4 -58.64 2.94 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.89 -175.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.6 tp -62.15 -34.71 76.9 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.954 0.407 . . . . 0.0 110.527 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.456 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . 3.3 tm? -59.75 -57.0 14.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.9 176.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.509 ' HA ' HD13 ' A' ' 25' ' ' LEU . 6.6 ptm180 -68.04 -24.54 65.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.61 0.243 . . . . 0.0 110.742 -176.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -66.07 -36.75 84.04 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.462 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.3 m -58.72 -41.54 86.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.456 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.595 HD11 ' HB3' ' A' ' 8' ' ' LEU . 7.8 mp -59.64 -37.5 78.84 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.476 177.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.69 -45.2 96.85 Favored Glycine 0 C--N 1.333 0.393 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.124 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 48.6 mtpt -61.81 -42.72 99.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.953 0.406 . . . . 0.0 110.36 176.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.0 m -59.08 -40.05 84.03 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.478 -177.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -62.77 -44.41 96.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.751 0.31 . . . . 0.0 110.429 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.04 -37.98 85.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.096 -177.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 27' ' ' LYS . 47.0 mt-10 -71.08 -26.07 62.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.201 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -97.11 18.99 13.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.352 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 68.51 21.1 8.24 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.581 0.705 . . . . 0.0 111.115 173.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.501 ' HG3' ' HB3' ' A' ' 37' ' ' ALA . 17.2 tp60 -97.18 46.1 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.509 ' HB3' HG23 ' A' ' 62' ' ' THR . 92.5 m-85 -50.85 -47.12 60.4 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.861 -1.063 . . . . 0.0 113.054 -170.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -60.99 -39.82 91.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.066 0.46 . . . . 0.0 111.331 -174.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.501 ' HB3' ' HG3' ' A' ' 34' ' ' GLN . . . -74.25 -27.98 61.01 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.809 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.77 -37.88 82.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.47 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.65 HD12 HE21 ' A' ' 66' ' ' GLN . 30.8 mt -55.9 -53.88 58.17 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -174.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.541 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 16.7 Cg_exo -67.65 -37.74 15.8 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 121.886 1.724 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -63.74 -38.84 92.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.599 -1.182 . . . . 0.0 110.474 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.503 HD23 HD23 ' A' ' 59' ' ' LEU . 35.1 tp -71.58 -36.65 70.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.587 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 57.2 mtt180 -60.45 -33.03 71.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.866 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.35 88.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.01 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.83 -42.27 73.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.025 0.44 . . . . 0.0 110.649 177.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.81 -26.28 68.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.028 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.96 -36.4 83.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.248 0.547 . . . . 0.0 110.493 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -80.91 -43.41 19.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.928 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -141.97 88.87 9.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.804 0.335 . . . . 0.0 110.851 -177.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.76 -7.47 19.61 Favored 'Trans proline' 0 CA--C 1.527 0.156 0 C-N-CA 122.611 2.207 . . . . 0.0 112.228 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.551 ' HB ' ' HD3' ' A' ' 86' ' ' ARG . 4.4 p -96.55 12.4 31.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.502 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.449 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 12.2 t80 -73.08 95.93 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.072 0.463 . . . . 0.0 109.829 178.1 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.598 ' HB3' HG21 ' A' ' 91' ' ' VAL . 5.7 m -53.15 -42.59 66.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.033 -0.985 . . . . 0.0 112.865 -173.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.449 ' HB ' ' CE1' ' A' ' 52' ' ' TYR . 74.4 t -61.08 -36.19 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.959 0.409 . . . . 0.0 110.828 -177.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.67 -32.18 71.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.482 -176.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.904 ' HH2' ' HG3' ' A' ' 86' ' ' ARG . 20.1 m0 -60.11 -43.37 95.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.449 0.643 . . . . 0.0 110.195 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.729 ' HA ' HD21 ' A' ' 95' ' ' LEU . 36.1 ttmt -64.16 -44.8 90.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.849 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -68.41 -35.94 78.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.43 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.503 HD23 HD23 ' A' ' 42' ' ' LEU . 1.2 tm? -59.38 -51.05 71.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.11 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.65 -40.5 98.84 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.538 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -59.0 -43.43 91.5 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.177 0.513 . . . . 0.0 110.874 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.509 HG23 ' HB3' ' A' ' 35' ' ' PHE . 19.4 m -69.52 -37.08 76.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.375 -175.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.7 mt -63.55 -33.94 76.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? -65.03 -43.71 91.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.09 -20.16 70.71 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.732 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.65 HE21 HD12 ' A' ' 39' ' ' LEU . 15.7 mm-40 -74.21 -23.53 59.21 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.707 0.289 . . . . 0.0 110.796 177.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.23 -5.74 33.98 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.098 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -82.67 89.19 6.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.587 0.708 . . . . 0.0 109.905 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.548 HH22 ' HG2' ' A' ' 109' ' ' GLU . 48.9 ttt180 -57.14 -44.72 83.63 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.978 -177.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.61 -49.11 61.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 111.575 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.14 -40.97 97.91 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.872 -177.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.45 98.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.922 0.391 . . . . 0.0 111.259 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -66.49 -48.64 69.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.086 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -64.37 -34.42 78.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.186 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.18 -45.93 86.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.933 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.494 ' HB3' HD21 ' A' ' 99' ' ' LEU . 10.9 m0 -70.07 -36.19 74.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -60.8 -40.86 94.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.199 0.523 . . . . 0.0 110.177 175.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.2 t -70.88 -42.43 70.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.231 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.07 -30.9 79.07 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.388 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 80' ' ' LEU . 8.0 tp -62.34 -45.92 91.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.894 0.378 . . . . 0.0 110.327 178.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.7 -31.11 72.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.168 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.26 87.68 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 173.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.0 86.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.76 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.19 -50.8 72.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.448 174.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.5 m -59.39 -35.63 74.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.236 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.904 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 8.6 mmm180 -76.66 -16.4 59.55 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.15 9.56 60.61 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.318 -174.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.475 ' O ' HG23 ' A' ' 92' ' ' VAL . 5.3 m-20 -75.42 86.58 2.57 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.785 0.802 . . . . 0.0 110.58 -176.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -57.92 -44.16 86.67 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.307 -1.315 . . . . 0.0 112.739 -175.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.539 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 62.9 tt0 -63.31 -40.09 96.38 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.95 -175.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.598 HG21 ' HB3' ' A' ' 53' ' ' SER . 96.5 t -67.68 -37.86 79.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.437 -178.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 88' ' ' ASP . 90.7 t -58.36 -46.27 89.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.054 176.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.55 -38.35 90.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.651 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 35.7 mt-10 -69.4 -49.75 52.35 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.908 0.385 . . . . 0.0 111.036 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.729 HD21 ' HA ' ' A' ' 57' ' ' LYS . 26.6 mt -66.84 -32.0 72.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.093 -178.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.522 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 7.7 tt0 -58.2 -32.04 67.89 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.181 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 51.6 t -60.51 -38.76 79.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.05 0.452 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.41 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 98.0 m-85 -65.67 -38.85 90.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.008 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 76' ' ' TRP . 3.6 mm? -60.16 -38.65 83.83 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.88 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.554 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 38.0 mtt180 -67.41 -49.32 64.3 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-O 122.212 1.006 . . . . 0.0 109.935 -175.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -66.42 -43.39 85.85 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 113.618 -1.628 . . . . 0.0 110.963 -175.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.456 HD22 ' HZ3' ' A' ' 76' ' ' TRP . 43.4 tp -69.62 -39.33 77.26 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.044 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.82 -35.82 75.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.279 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 41.1 mtp85 -58.74 -41.69 87.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.083 0.468 . . . . 0.0 110.873 178.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -72.51 -42.17 65.11 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.915 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -71.24 -46.99 59.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.805 -176.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.43 -45.06 95.89 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.301 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.8 mt -79.83 -17.71 52.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.608 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.548 ' HG2' HH22 ' A' ' 69' ' ' ARG . 35.8 mt-10 52.25 54.3 10.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.565 -177.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 61.63 34.26 17.74 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.767 0.794 . . . . 0.0 109.643 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 62.11 18.33 9.93 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.633 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 61.33 22.15 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.335 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -81.92 85.53 6.67 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 172.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 60.59 139.98 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.609 0 O-C-N 124.688 1.243 . . . . 0.0 110.675 -166.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 15.4 t60 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.298 -0.858 . . . . 0.0 109.617 -179.655 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.888 0.375 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -125.11 171.17 10.5 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.273 176.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 67.83 165.83 0.24 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-O 122.041 0.924 . . . . 0.0 111.355 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.6 mm -71.49 -25.38 24.74 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.3 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -52.83 56.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -174.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -61.23 -38.47 86.75 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.782 0.325 . . . . 0.0 111.754 -174.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -73.61 -42.75 61.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.304 -176.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.53 ' HB2' HD21 ' A' ' 25' ' ' LEU . 35.2 mt -68.34 -45.8 71.88 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.174 -0.211 . . . . 0.0 111.16 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -59.18 -35.06 72.91 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.553 0.216 . . . . 0.0 111.024 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.609 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -69.12 -50.25 49.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.309 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.4 ptm -72.94 -31.82 64.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.166 -176.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.536 HD13 HD12 ' A' ' 25' ' ' LEU . 9.4 tt -62.54 -44.51 96.18 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.31 -18.8 63.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.457 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 28.9 mm-40 -79.25 -8.7 59.24 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.864 0.364 . . . . 0.0 110.585 177.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.44 -6.97 24.64 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.922 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -85.08 70.38 10.9 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.12 0.486 . . . . 0.0 110.505 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.499 ' HB2' ' HG ' ' A' ' 12' ' ' LEU . 21.0 t70 -152.0 162.64 40.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.304 177.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -158.55 -58.96 0.07 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.238 -0.892 . . . . 0.0 108.917 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -158.21 -40.73 0.06 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.215 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.2 tt -53.96 -56.57 16.62 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.845 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 mp -67.09 -46.55 73.91 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.27 -0.172 . . . . 0.0 111.139 -174.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -55.67 -42.57 75.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.328 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.433 ' HE1' ' HB2' ' A' ' 55' ' ' ALA . 87.1 t80 -65.04 -44.76 88.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 110.357 176.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.4 m -62.73 -41.16 99.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.052 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.536 HD12 HD13 ' A' ' 12' ' ' LEU . 30.8 mt -63.42 -43.18 98.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.915 178.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.94 -45.4 95.18 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.464 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 87.5 tttt -61.7 -40.13 93.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.044 0.45 . . . . 0.0 110.488 176.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.5 m -64.72 -38.8 92.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.174 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -62.12 -39.69 93.42 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.321 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.94 -38.93 92.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.766 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 27' ' ' LYS . 51.2 mt-10 -69.05 -23.28 64.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.955 0.407 . . . . 0.0 110.811 177.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -93.48 8.61 39.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.391 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.409 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 33.1 tt0 62.6 27.14 16.06 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.729 0.776 . . . . 0.0 110.633 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -110.08 47.6 0.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.497 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 76.8 m-85 -53.21 -32.62 49.04 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 114.691 -1.141 . . . . 0.0 112.328 -172.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -55.48 -45.47 76.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.225 0.536 . . . . 0.0 110.819 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.65 -27.78 60.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.901 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.71 77.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.587 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 35' ' ' PHE . 94.0 mt -52.77 -54.28 45.13 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -173.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 18.3 Cg_endo -61.29 -42.56 34.07 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 121.994 1.796 . . . . 0.0 112.654 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -70.82 -36.66 73.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 -176.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.2 tp -70.74 -37.37 73.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.302 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -66.31 -39.44 89.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.485 177.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.73 -31.71 71.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.982 0.42 . . . . 0.0 110.851 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.68 -41.99 91.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.521 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 55' ' ' ALA . 72.1 mt -73.09 -25.62 60.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.485 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.0 -43.84 94.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.125 0.488 . . . . 0.0 109.753 176.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -82.07 -43.29 18.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.94 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -128.34 87.76 54.38 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.969 0.414 . . . . 0.0 111.161 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -71.02 -4.5 15.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.883 2.389 . . . . 0.0 112.07 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.401 ' HA ' ' HZ2' ' A' ' 56' ' ' TRP . 9.1 p -101.03 16.16 26.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.567 -176.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -87.37 89.28 7.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.006 0.431 . . . . 0.0 110.205 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.605 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 2.3 m -50.86 -41.46 58.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.821 -176.021 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.7 t -58.11 -39.17 71.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.949 0.404 . . . . 0.0 111.002 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.609 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -69.61 -28.76 66.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.432 -176.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.605 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 34.7 m0 -63.63 -49.03 74.88 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.207 0.527 . . . . 0.0 109.964 -178.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.985 ' HA ' HD21 ' A' ' 95' ' ' LEU . 84.5 tttt -67.64 -34.63 77.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.947 178.081 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -68.71 -27.67 66.16 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 84.3 mt -55.25 -51.56 66.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.018 0.437 . . . . 0.0 110.707 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.662 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -63.61 -41.58 99.06 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.572 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -58.91 -44.8 91.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.009 0.433 . . . . 0.0 110.706 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.1 m -65.0 -42.35 94.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.798 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.56 -31.28 69.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.657 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -67.34 -36.4 81.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.925 0.393 . . . . 0.0 110.537 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.15 -36.25 64.0 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.613 175.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -67.25 -38.38 85.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.817 0.341 . . . . 0.0 110.371 177.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.9 9.29 26.61 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.626 177.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -94.82 87.59 5.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.267 0.556 . . . . 0.0 110.244 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.578 ' HB2' HD11 ' A' ' 102' ' ' LEU . 13.2 ptt-85 -66.48 -33.94 76.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.356 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.32 -48.21 68.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.938 0.399 . . . . 0.0 110.546 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.38 -38.48 95.88 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.245 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.38 -42.96 99.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 110.456 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -58.9 -50.87 72.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.964 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -58.22 -43.84 87.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.879 177.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.49 -47.72 80.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.553 -177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.662 ' NE1' ' HA3' ' A' ' 60' ' ' GLY . 13.7 m0 -63.21 -39.62 95.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.209 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.21 -37.5 85.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.918 0.39 . . . . 0.0 110.596 175.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.1 m -71.01 -46.39 62.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.38 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.63 -30.38 74.73 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.669 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.7 tp -61.64 -53.25 58.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.119 0.485 . . . . 0.0 110.119 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.14 -31.68 72.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.061 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.99 -47.58 77.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.059 0.457 . . . . 0.0 109.774 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.564 ' HA ' ' CZ3' ' A' ' 56' ' ' TRP . . . -63.64 -43.28 97.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.866 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -59.74 -45.48 92.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.124 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 m -66.59 -27.79 68.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.618 ' HA ' ' NE ' ' A' ' 86' ' ' ARG . 5.1 mmp_? -96.47 -13.46 23.07 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.0 22.16 39.64 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.147 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.511 ' O ' HG23 ' A' ' 92' ' ' VAL . 34.0 m-20 -89.54 78.0 7.14 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.323 0.582 . . . . 0.0 110.103 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -60.54 -38.8 85.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.535 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -57.48 -44.84 85.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.431 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.534 HG21 ' HB3' ' A' ' 53' ' ' SER . 47.3 t -68.13 -38.5 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.632 -178.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 88' ' ' ASP . 99.2 t -57.91 -50.9 76.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.323 178.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.48 ' O ' HG23 ' A' ' 97' ' ' VAL . 53.7 mtmt -67.08 -36.55 82.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.818 -177.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -64.01 -49.5 72.17 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.75 0.31 . . . . 0.0 111.609 176.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.985 HD21 ' HA ' ' A' ' 57' ' ' LYS . 54.4 mt -68.5 -32.51 72.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.118 -178.124 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.484 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 62.5 tt0 -57.6 -40.6 79.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.709 176.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.527 ' O ' ' HG3' ' A' ' 101' ' ' ARG . 88.9 t -62.45 -43.59 98.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.014 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.42 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 61.2 m-85 -60.99 -39.73 90.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.338 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 70.5 mt -57.97 -37.93 75.1 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.103 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.497 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 26.6 mtp180 -69.14 -47.48 64.94 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.725 0.774 . . . . 0.0 109.91 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' A' ' 97' ' ' VAL . 52.4 mtp85 -59.47 -41.24 89.29 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.776 -179.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.578 HD11 ' HB2' ' A' ' 69' ' ' ARG . 50.5 tp -67.95 -36.75 80.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.727 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.09 -31.14 72.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.205 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.664 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 81.6 mtt-85 -56.66 -44.89 81.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.231 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -64.76 -40.3 95.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.417 0.627 . . . . 0.0 110.855 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -71.29 -44.65 64.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.404 -174.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.615 ' HA ' ' HA ' ' A' ' 112' ' ' HIS . . . -61.74 -26.2 67.92 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.133 -0.939 . . . . 0.0 111.764 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 104' ' ' ARG . 56.7 mt -55.92 -51.95 65.83 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -175.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -88.71 -95.62 0.1 Allowed 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.012 -0.675 . . . . 0.0 112.63 -167.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -116.05 -17.18 10.95 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.858 -173.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.72 45.35 1.22 Allowed 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.615 ' HA ' ' HA ' ' A' ' 107' ' ' ALA . 70.3 t60 -69.42 -28.5 66.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.64 -168.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 72.55 -82.18 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.276 0.63 . . . . 0.0 112.442 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -112.34 134.64 53.77 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -170.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 . . . . . 0 C--O 1.252 1.201 0 O-C-N 124.112 0.883 . . . . 0.0 111.568 175.817 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mtp . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.04 148.02 25.45 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 175.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.563 ' HB3' ' HG3' ' A' ' 6' ' ' GLU . . . -121.24 138.97 53.99 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.396 0.617 . . . . 0.0 110.988 -175.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.481 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 63.9 mt -57.67 -34.05 46.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.597 178.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 p -60.8 -34.17 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.816 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.563 ' HG3' ' HB3' ' A' ' 3' ' ' ALA . 45.0 mt-10 -60.78 -47.91 84.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.012 0.434 . . . . 0.0 110.815 -178.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 4' ' ' ILE . 18.2 ptp180 -73.75 -31.36 63.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.796 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 76.2 mt -63.22 -51.41 66.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.749 176.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -53.1 -40.13 63.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.079 0.466 . . . . 0.0 110.351 177.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.9 -49.27 68.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.652 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.532 ' HG3' HD22 ' A' ' 12' ' ' LEU . 24.2 ptm -72.44 -32.02 65.94 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.606 0.225 . . . . 0.0 111.606 -175.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.532 HD22 ' HG3' ' A' ' 11' ' ' MET . 4.2 mm? -73.43 -50.56 21.08 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.037 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.78 -21.61 66.51 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -173.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -98.03 16.54 20.78 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 122.204 -0.31 . . . . 0.0 111.234 -175.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.31 -58.35 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.524 -0.845 . . . . 0.0 112.051 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.7 m -140.01 86.49 2.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.906 0.384 . . . . 0.0 110.375 -177.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -72.06 -79.79 0.07 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 54.49 -162.95 0.13 Allowed 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.559 174.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -118.18 -33.32 4.44 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.1 mt -73.51 0.49 12.33 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.479 -0.782 . . . . 0.0 113.074 -171.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.8 mp -125.08 -44.27 1.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.122 0.487 . . . . 0.0 110.963 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -81.07 -7.57 59.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.713 -172.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -69.8 -32.66 71.23 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.683 0.278 . . . . 0.0 110.622 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.3 m -57.29 -33.78 68.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.489 -177.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.6 mp -58.55 -32.97 69.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.108 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.89 -37.78 86.08 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.026 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -61.02 -48.87 79.81 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.114 0.483 . . . . 0.0 109.86 173.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 m -57.64 -42.49 83.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.425 -176.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -60.39 -44.67 95.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.747 177.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.17 -39.28 71.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.076 -176.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -67.01 -31.91 72.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.88 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -88.14 13.91 10.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.656 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 68.45 20.5 8.5 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.498 171.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -103.94 71.67 1.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.586 0.708 . . . . 0.0 109.144 175.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.457 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 62.9 m-85 -66.7 -38.6 87.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.347 -177.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.01 -45.94 86.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.091 -176.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.72 -28.61 62.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.984 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.09 -37.69 72.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.521 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.46 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 89.0 mt -51.79 -55.09 33.21 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -173.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.46 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 64.6 Cg_endo -74.63 -26.55 11.6 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 121.474 1.45 . . . . 0.0 111.768 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -72.5 -45.88 57.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.479 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.2 tp -71.79 -43.43 65.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.114 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -63.75 -32.11 73.51 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.014 -0.275 . . . . 0.0 110.7 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.01 92.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.867 0.365 . . . . 0.0 110.438 175.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.73 88.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.722 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.545 HD21 ' HB3' ' A' ' 55' ' ' ALA . 55.0 mt -66.71 -26.02 66.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.325 177.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.39 -39.36 85.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.218 0.532 . . . . 0.0 109.93 176.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -77.88 -44.59 26.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.203 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -133.23 87.1 39.74 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 120.979 0.418 . . . . 0.0 110.265 -177.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.21 -3.74 14.22 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.741 2.294 . . . . 0.0 112.677 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.1 m -86.26 -11.5 52.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 -176.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.477 ' CZ ' ' HB ' ' A' ' 54' ' ' VAL . 13.8 t80 -74.32 94.27 2.5 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.539 0.685 . . . . 0.0 110.871 -178.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.597 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 4.9 p -60.72 -37.9 83.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.945 -1.025 . . . . 0.0 113.199 -175.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.477 ' HB ' ' CZ ' ' A' ' 52' ' ' TYR . 48.0 t -57.71 -36.4 54.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.827 0.346 . . . . 0.0 110.996 -177.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.545 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -67.96 -28.21 67.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.425 -177.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.597 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 30.8 m0 -59.27 -46.4 88.62 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.464 0.65 . . . . 0.0 109.585 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.794 ' HA ' HD21 ' A' ' 95' ' ' LEU . 81.5 tttt -66.0 -36.47 83.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.091 -0.958 . . . . 0.0 111.464 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -71.16 -37.61 72.21 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -56.95 -43.3 81.43 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 120.944 0.402 . . . . 0.0 110.811 -175.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.495 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -64.87 -34.87 91.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.408 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -62.72 -39.77 95.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 111.106 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.47 -32.42 66.23 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.856 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' A' ' 75' ' ' ALA . 34.1 mt -69.72 -34.85 74.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.711 0.291 . . . . 0.0 110.704 175.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -59.26 -36.52 75.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.393 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.29 -16.86 63.17 Favored Glycine 0 CA--C 1.52 0.358 0 CA-C-N 115.837 -0.619 . . . . 0.0 113.077 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -78.24 -15.12 59.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.672 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.25 -3.15 75.86 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.308 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -93.33 92.52 7.72 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.466 ' HB2' HD11 ' A' ' 102' ' ' LEU . 37.9 ptt180 -64.58 -31.35 72.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.882 -175.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.08 -50.41 55.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.733 0.301 . . . . 0.0 111.301 -177.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.21 -35.83 78.17 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.787 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.54 -51.16 71.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.256 . . . . 0.0 111.116 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.616 ' HB3' HD23 ' A' ' 102' ' ' LEU . 23.5 ptt180 -69.24 -33.99 74.12 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.083 -178.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -57.14 -38.99 74.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.607 0.241 . . . . 0.0 111.055 175.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -63.09 -41.48 99.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.004 0.431 . . . . 0.0 110.758 177.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.598 ' CE3' ' HA ' ' A' ' 73' ' ' ARG . 13.6 m0 -66.85 -39.61 87.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.577 178.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.38 -38.28 88.96 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.917 0.389 . . . . 0.0 110.758 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.9 m -68.5 -43.75 76.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.817 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.74 -28.27 73.68 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.958 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.34 -49.33 78.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.989 0.423 . . . . 0.0 110.171 177.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.27 -33.37 75.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.144 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.32 -41.73 96.68 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.3 -42.12 72.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.65 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -57.56 -45.84 84.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.811 176.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.5 t -58.3 -39.54 79.63 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.506 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -84.11 -13.53 52.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.73 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.3 24.7 60.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.923 -178.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.448 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.4 OUTLIER -91.97 82.61 5.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.668 0.747 . . . . 0.0 110.504 -176.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -58.22 -43.13 87.56 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.377 -1.283 . . . . 0.0 112.54 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -59.24 -40.07 84.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.711 0.291 . . . . 0.0 110.624 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.4 t -66.53 -40.78 87.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.989 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 88' ' ' ASP . 77.6 t -59.49 -45.87 93.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.363 176.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.441 ' O ' HG23 ' A' ' 97' ' ' VAL . 75.8 mmtt -60.71 -47.52 85.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.105 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.48 -45.9 87.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.801 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.794 HD21 ' HA ' ' A' ' 57' ' ' LYS . 84.6 mt -69.24 -37.68 78.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.368 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.61 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 53.7 mt-30 -60.29 -29.88 69.12 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 111.462 0.171 . . . . 0.0 111.462 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 93' ' ' LYS . 93.6 t -59.92 -41.44 85.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-O 120.877 0.37 . . . . 0.0 110.629 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -67.3 -39.03 85.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.575 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.85 -35.46 78.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.577 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.666 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 45.2 mmt-85 -69.7 -53.44 18.53 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 121.161 0.505 . . . . 0.0 110.581 -175.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -59.13 -43.17 91.96 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.952 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.616 HD23 ' HB3' ' A' ' 73' ' ' ARG . 37.6 tp -67.2 -36.01 80.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.126 0.488 . . . . 0.0 110.492 -178.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.41 -32.1 68.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.316 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.666 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 62.0 mtp85 -62.45 -41.07 98.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.596 0.236 . . . . 0.0 111.038 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -62.91 -40.0 96.24 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.015 0.435 . . . . 0.0 110.599 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -68.47 -43.22 77.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.5 177.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.5 -28.54 63.53 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.778 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 104' ' ' ARG . 96.7 mt -68.53 -35.91 78.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.835 0.35 . . . . 0.0 110.628 176.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -85.75 -25.15 26.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.857 0.837 . . . . 0.0 110.329 -177.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -104.04 21.04 17.13 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.383 177.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -63.75 -31.28 72.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.174 -169.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 13.0 m170 58.4 79.42 0.21 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.843 0.354 . . . . 0.0 111.699 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -159.95 -69.45 0.07 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 174.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 65.0 t60 68.28 148.98 0.06 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.82 0.7 . . . . 0.0 110.419 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.572 -0.728 . . . . 0.0 110.692 178.093 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 120.887 0.375 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.425 ' HG3' ' H ' ' A' ' 3' ' ' ALA . 13.7 tp60 -136.17 -179.29 5.58 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -174.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.425 ' H ' ' HG3' ' A' ' 2' ' ' GLN . . . 69.48 149.11 0.07 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.945 0.879 . . . . 0.0 112.115 176.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.464 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 75.5 mt -70.45 -29.75 40.03 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.995 178.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 p -62.81 -40.01 96.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.106 -177.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.429 ' HA ' ' HG2' ' A' ' 9' ' ' GLU . 21.6 mt-10 -63.22 -45.77 90.08 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -68.41 -32.57 72.72 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.566 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 84.5 mt -67.28 -49.93 62.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.769 177.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' HA ' HD23 ' A' ' 12' ' ' LEU . 10.1 pt-20 -66.11 -30.99 71.6 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 120.693 0.283 . . . . 0.0 110.914 -178.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.17 -35.1 71.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.876 0.369 . . . . 0.0 110.748 176.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.432 ' HE2' ' HA ' ' A' ' 8' ' ' LEU . 65.0 mtm -69.46 -35.77 75.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.587 177.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 9' ' ' GLU . 4.2 mm? -59.56 -37.75 79.29 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.26 -26.22 66.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.081 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -81.81 -6.01 58.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.811 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.84 -8.01 61.2 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.703 -0.76 . . . . 0.0 113.936 172.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.2 t -80.94 68.85 7.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.413 1.101 . . . . 0.0 110.135 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -81.07 108.43 14.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.204 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.511 HD21 HD23 ' A' ' 21' ' ' LEU . 10.4 p30 -125.63 174.26 8.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.193 0.52 . . . . 0.0 110.533 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.601 ' CE ' ' HB2' ' A' ' 49' ' ' ASP . 17.7 ttt -91.43 -25.36 19.37 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.026 -173.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.5 mt -82.66 -19.06 38.91 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -166.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.511 HD23 HD21 ' A' ' 18' ' ' ASN . 2.9 pp -79.85 -7.11 58.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.811 -0.555 . . . . 0.0 112.016 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 22' ' ' ARG . 57.8 mtt-85 -74.82 -38.13 62.14 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -172.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -69.72 -30.83 68.54 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.993 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.2 m -63.44 -35.97 82.18 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.67 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.19 -44.12 92.21 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.341 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.568 ' HA3' HD21 ' A' ' 42' ' ' LEU . . . -60.48 -36.46 91.32 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.487 -179.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -59.69 -38.77 82.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.75 0.309 . . . . 0.0 110.893 178.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.8 m -69.3 -36.22 76.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.886 0.374 . . . . 0.0 110.735 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -68.34 -41.09 81.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.278 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.39 -45.43 72.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.194 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -62.58 -32.47 73.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.044 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.7 12.71 24.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.2 -178.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 61.56 39.02 15.17 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.221 0.609 . . . . 0.0 112.328 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -111.84 46.29 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -53.14 -43.9 67.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.335 -174.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -55.5 -44.21 76.37 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.192 0.52 . . . . 0.0 111.32 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.54 -27.99 61.64 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.928 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.97 -37.95 79.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.521 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.3 mt -51.84 -54.37 41.0 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -174.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.23 -32.33 27.08 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 121.68 1.587 . . . . 0.0 112.349 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -71.64 -38.4 70.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.412 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.568 HD21 ' HA3' ' A' ' 26' ' ' GLY . 71.8 mt -71.12 -35.19 71.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.293 175.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -64.15 -31.54 72.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.98 177.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.05 85.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.673 174.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.79 -39.08 76.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.019 0.438 . . . . 0.0 110.155 175.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.85 -23.89 67.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.728 176.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -67.86 -29.97 69.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.128 0.489 . . . . 0.0 109.946 177.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -81.35 -43.54 18.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.756 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.601 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 13.2 t70 -122.85 139.59 31.62 Favored Pre-proline 0 C--N 1.329 -0.299 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.326 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.512 ' HD3' ' HA ' ' A' ' 49' ' ' ASP . 4.8 Cg_exo -79.18 -22.03 8.75 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.764 2.309 . . . . 0.0 113.412 -176.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.707 ' OG1' ' HA ' ' A' ' 82' ' ' ALA . 4.1 t -158.17 83.41 0.85 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.908 0.861 . . . . 0.0 111.537 -172.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.464 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 45.6 t80 -109.82 121.45 45.26 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.608 178.141 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.49 ' HB3' ' HA ' ' A' ' 83' ' ' ALA . 3.4 p -52.69 -51.99 57.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.69 -173.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.464 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 50.9 t -64.3 -40.27 88.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.459 -176.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.71 -48.21 75.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.357 -175.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -67.34 -34.76 78.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.206 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.679 ' HA ' HD21 ' A' ' 95' ' ' LEU . 79.6 tttt -61.79 -43.41 98.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.688 176.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 62.9 m95 -73.68 -33.03 64.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.073 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.54 -42.76 79.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.953 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.29 -44.66 96.35 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 121.16 -0.543 . . . . 0.0 112.204 176.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt -63.68 -36.36 83.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.055 0.455 . . . . 0.0 110.914 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.8 m -68.52 -44.57 74.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.109 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.548 HD12 ' HB2' ' A' ' 75' ' ' ALA . 38.2 mt -69.14 -30.88 69.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.684 0.278 . . . . 0.0 111.012 177.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -61.13 -46.4 90.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.027 174.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.66 -27.08 73.01 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.49 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -62.71 -33.85 75.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.018 0.437 . . . . 0.0 110.002 176.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.5 16.96 14.43 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.899 176.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -114.33 100.66 8.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.029 0.442 . . . . 0.0 110.305 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.98 -28.8 69.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.479 -176.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.34 -49.53 63.68 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.573 0.225 . . . . 0.0 110.523 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.6 -36.66 92.97 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.772 175.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.92 -45.3 93.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.43 0.157 . . . . 0.0 110.672 177.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -59.56 -48.09 82.99 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -55.71 -50.77 69.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.293 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.548 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -62.14 -45.94 91.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.018 -175.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.43 ' HE3' HD22 ' A' ' 102' ' ' LEU . 9.3 m0 -71.02 -39.84 72.12 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -176.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -64.99 -41.77 95.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.142 0.496 . . . . 0.0 110.551 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -73.64 -36.78 65.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.412 -178.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.52 -21.05 70.41 Favored Glycine 0 C--N 1.332 0.308 0 CA-C-N 115.839 -0.619 . . . . 0.0 113.753 -175.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.3 tp -58.08 -43.7 87.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.325 0.583 . . . . 0.0 110.005 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.56 -30.71 68.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.615 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.707 ' HA ' ' OG1' ' A' ' 51' ' ' THR . . . -67.19 -39.88 86.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.275 0.559 . . . . 0.0 110.367 178.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.49 ' HA ' ' HB3' ' A' ' 53' ' ' SER . . . -71.81 -37.01 70.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.474 177.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -66.78 -42.61 85.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.188 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.5 t -64.7 -36.9 85.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.523 ' HA ' ' HE ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -79.28 -9.5 59.59 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.183 177.401 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.51 33.78 87.46 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.852 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.471 ' O ' HG23 ' A' ' 92' ' ' VAL . 4.8 t70 -105.55 85.53 2.26 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.341 0.591 . . . . 0.0 110.254 -176.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -54.54 -33.06 59.42 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.556 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.614 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 44.8 tt0 -56.83 -48.44 78.01 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.143 -0.223 . . . . 0.0 110.484 176.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.416 HG23 ' OD1' ' A' ' 88' ' ' ASP . 52.7 t -68.65 -36.9 76.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.419 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 88' ' ' ASP . 62.1 t -57.46 -50.63 76.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.354 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.494 ' O ' HG23 ' A' ' 97' ' ' VAL . 68.7 mttm -66.29 -37.51 85.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.788 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 52.9 mt-10 -60.95 -49.13 78.7 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.985 0.421 . . . . 0.0 110.539 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.679 HD21 ' HA ' ' A' ' 57' ' ' LYS . 75.2 mt -67.34 -32.69 73.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.685 178.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -59.15 -43.32 92.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.354 176.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 93' ' ' LYS . 97.9 t -62.59 -41.14 90.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -62.94 -37.02 85.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.965 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.3 -37.26 82.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.974 0.416 . . . . 0.0 110.993 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -73.72 -43.4 59.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.446 0.641 . . . . 0.0 109.818 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -56.59 -45.58 81.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.055 175.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.43 HD22 ' HE3' ' A' ' 76' ' ' TRP . 54.3 tp -67.57 -35.13 78.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.361 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.27 -32.52 62.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.58 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -56.59 -45.74 81.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.216 0.532 . . . . 0.0 110.403 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -72.51 -39.24 67.77 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.277 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 26.4 t70 -71.53 -47.69 53.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.49 -177.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.567 ' O ' ' HB2' ' A' ' 113' ' ' HIS . . . -63.1 -40.7 98.41 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.655 -178.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 82.6 mt -82.17 -53.42 6.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 106' ' ' ASP . 54.5 mt-10 57.33 30.26 18.21 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.438 0.637 . . . . 0.0 109.617 -171.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 63.7 t60 65.79 14.74 9.72 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.884 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -145.19 -96.58 0.1 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 176.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -152.76 22.25 0.6 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.567 ' HB2' ' O ' ' A' ' 107' ' ' ALA . 70.1 t60 62.6 105.79 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.791 -173.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -83.23 126.7 32.93 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.166 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 . . . . . 0 C--O 1.251 1.16 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.912 -175.688 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 120.753 0.311 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -72.41 148.08 45.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.352 0.596 . . . . 0.0 110.393 -178.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.483 ' HB1' ' HG2' ' A' ' 6' ' ' GLU . . . -84.0 80.93 9.0 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.943 -177.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.454 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 63.7 mt -64.55 -34.57 70.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.261 -178.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.4 p -56.98 -41.59 78.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.726 -177.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.483 ' HG2' ' HB1' ' A' ' 3' ' ' ALA . 4.8 mm-40 -66.9 -41.89 86.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.424 -173.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -74.05 -32.53 63.35 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.219 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 86.3 mt -64.7 -52.8 55.25 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.182 -0.207 . . . . 0.0 111.452 -178.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.25 -32.36 73.98 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 111.079 -177.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.28 99.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.187 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.415 ' HB2' ' HE3' ' A' ' 11' ' ' MET . 73.4 mtm -63.77 -45.23 90.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.464 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.882 ' HG ' ' HA ' ' A' ' 17' ' ' ASP . 9.6 mp -59.54 -38.72 81.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.973 0.416 . . . . 0.0 110.595 178.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.6 -18.84 62.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.535 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -94.16 2.4 55.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.986 0.422 . . . . 0.0 111.298 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.33 4.36 50.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.413 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -99.77 55.47 0.95 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.764 0.792 . . . . 0.0 109.183 176.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.882 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 16.8 t70 -71.76 -70.37 0.33 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.56 -174.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.447 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 48.3 m-80 67.36 173.28 0.26 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.267 0.556 . . . . 0.0 111.788 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -93.73 -49.98 5.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.069 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 20' ' ' LEU . 2.9 tm? -62.84 -33.96 76.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.591 -176.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.6 tp -71.86 -32.14 67.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.512 -177.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.615 HH11 ' HB1' ' A' ' 44' ' ' ALA . 95.3 mtt180 -61.82 -43.94 97.84 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.145 0.498 . . . . 0.0 110.126 174.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -64.97 -36.78 85.51 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.807 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.2 m -58.43 -35.61 72.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.797 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.9 mt -69.94 -45.54 67.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.814 175.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.94 -47.29 91.97 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 121.077 -0.582 . . . . 0.0 113.049 -175.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -64.62 -36.77 85.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.749 0.309 . . . . 0.0 111.011 -178.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.1 m -69.48 -40.67 76.92 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.87 0.367 . . . . 0.0 111.132 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -62.5 -40.12 95.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.677 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.72 -35.45 79.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.157 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.57 -23.55 66.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -101.98 13.42 34.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.404 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 39.9 tt0 67.58 15.11 9.73 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.726 0.774 . . . . 0.0 110.692 179.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -89.72 45.64 1.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.918 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.561 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 88.4 m-85 -55.61 -31.28 62.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.335 -176.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -60.68 -46.97 88.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.657 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.6 -27.95 60.69 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.105 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.61 74.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.415 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 35' ' ' PHE . 48.0 mt -49.81 -54.34 33.03 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -174.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 20.6 Cg_endo -63.08 -40.21 35.04 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 121.837 1.691 . . . . 0.0 112.392 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -71.44 -38.49 71.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.069 -177.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.6 tp -71.11 -42.31 69.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.095 0.474 . . . . 0.0 110.27 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -62.77 -43.97 97.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.487 -178.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.615 ' HB1' HH11 ' A' ' 22' ' ' ARG . . . -64.3 -33.0 74.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.693 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.32 -47.67 63.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.059 0.457 . . . . 0.0 110.793 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 55' ' ' ALA . 66.4 mt -69.53 -25.21 63.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.673 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.89 -42.08 79.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.267 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -82.33 -43.62 17.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.629 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -135.08 88.81 25.52 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 120.889 0.375 . . . . 0.0 111.04 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.21 -4.1 14.58 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.714 2.276 . . . . 0.0 112.416 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.8 p -96.0 23.25 6.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.025 -176.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.474 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 18.2 t80 -86.36 98.27 10.89 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 177.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.642 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 12.9 m -48.98 -43.73 40.29 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -173.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.474 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 41.3 t -61.72 -36.29 72.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.912 0.387 . . . . 0.0 110.833 -177.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.494 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -70.17 -28.95 65.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.549 -176.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.642 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 31.2 m0 -58.55 -47.97 82.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.06 0.457 . . . . 0.0 110.324 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.631 ' HD2' ' HE2' ' A' ' 98' ' ' PHE . 6.8 ttpm? -67.21 -34.82 78.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.215 178.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -66.14 -33.06 74.93 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.307 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 71.3 mt -55.27 -51.71 65.76 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.076 0.235 . . . . 0.0 111.253 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.432 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -61.56 -40.4 98.66 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.443 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -69.51 -40.95 76.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.618 0.247 . . . . 0.0 111.181 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.561 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 23.6 m -67.73 -42.24 82.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.787 -179.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 59' ' ' LEU . 82.4 mt -67.38 -34.94 78.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.446 177.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -64.96 -42.47 94.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.401 176.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.89 -35.11 85.77 Favored Glycine 0 C--O 1.228 -0.266 0 C-N-CA 121.066 -0.587 . . . . 0.0 111.998 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -49.48 66.16 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 173.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.32 9.56 2.07 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.309 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.409 ' HB2' ' HB3' ' A' ' 63' ' ' LEU . 11.5 m-20 -82.98 86.63 6.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.565 0.222 . . . . 0.0 110.833 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.635 ' HD3' ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -65.39 -37.22 86.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.673 176.744 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.635 ' N ' ' HD3' ' A' ' 69' ' ' ARG . . . -69.16 -47.64 64.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.517 177.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.99 -43.34 99.31 Favored Glycine 0 C--N 1.33 0.229 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.866 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.59 -47.35 82.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.792 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.654 ' HG3' HD11 ' A' ' 99' ' ' LEU . 78.6 ttt180 -62.7 -45.57 92.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.678 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -57.32 -46.15 83.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.913 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.21 98.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.551 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.432 ' NE1' ' HA3' ' A' ' 60' ' ' GLY . 27.0 m0 -71.89 -43.51 65.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.334 -176.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -67.32 -42.96 82.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.72 0.295 . . . . 0.0 111.256 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.4 t -73.47 -39.03 65.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -177.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.99 -14.46 76.07 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.706 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.1 tp -60.92 -49.12 78.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.165 0.507 . . . . 0.0 110.481 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.94 -32.64 73.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.211 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.92 -45.89 83.96 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.619 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -65.28 -40.13 93.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.752 178.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -58.95 -47.29 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 174.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.7 t -58.25 -41.55 84.49 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.806 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.436 ' HD2' ' HH2' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -77.58 -14.69 59.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.46 22.81 66.56 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.949 -176.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.523 ' O ' HG23 ' A' ' 92' ' ' VAL . 3.6 m-20 -82.98 81.58 8.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.343 0.592 . . . . 0.0 110.372 -178.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -56.92 -43.79 81.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.995 -1.002 . . . . 0.0 112.318 -177.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -62.17 -45.11 94.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.739 0.304 . . . . 0.0 110.269 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.3 t -65.89 -39.96 86.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.872 -175.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 88' ' ' ASP . 98.1 t -58.67 -51.78 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.094 0.473 . . . . 0.0 110.27 177.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.548 ' O ' HG23 ' A' ' 97' ' ' VAL . 56.9 mtmt -67.57 -36.56 81.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.57 -176.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -58.8 -49.24 78.43 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 121.129 0.49 . . . . 0.0 110.434 175.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.477 HD21 ' HA ' ' A' ' 57' ' ' LYS . 83.8 mt -61.64 -44.68 96.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.245 -178.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.556 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 98.4 mt-30 -56.96 -41.56 78.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 93' ' ' LYS . 79.8 t -61.13 -51.23 75.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.522 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.631 ' HE2' ' HD2' ' A' ' 57' ' ' LYS . 61.4 m-85 -65.62 -36.4 83.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.743 0.306 . . . . 0.0 111.283 -175.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.654 HD11 ' HG3' ' A' ' 73' ' ' ARG . 42.2 tp -59.15 -40.48 85.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.31 -178.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 7.4 mtp180 -75.93 -43.8 43.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.247 0.546 . . . . 0.0 110.365 -177.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -56.62 -37.89 71.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.01 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 63.5 tp -66.88 -42.7 85.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.996 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.99 -32.58 69.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.626 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -60.21 -47.29 86.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.971 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -73.37 -35.27 65.92 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.701 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.56 -47.47 54.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.896 0.379 . . . . 0.0 111.372 -177.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.42 -42.03 90.89 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.18 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 92.7 mt -80.81 -18.25 48.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.757 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 63.45 32.69 14.21 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.446 0.698 . . . . 0.0 110.106 -177.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 65.0 t60 56.12 25.71 9.34 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.296 -177.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -81.7 46.17 0.95 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.546 0.688 . . . . 0.0 111.13 -175.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -89.34 -12.23 41.06 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.706 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -92.31 119.74 32.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.94 -175.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.42 ' O ' ' HB3' ' A' ' 115' ' ' HIS . 9.9 t60 -111.88 -29.57 7.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.837 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.42 ' HB3' ' O ' ' A' ' 114' ' ' HIS . 67.8 t60 . . . . . 0 C--O 1.249 1.066 0 O-C-N 123.863 0.727 . . . . 0.0 109.382 -171.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.4 mtt . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -93.87 147.65 22.88 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 120.596 0.236 . . . . 0.0 110.764 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 64.75 160.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 122.076 0.941 . . . . 0.0 111.965 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.441 HG21 ' CG2' ' A' ' 24' ' ' THR . 41.2 mm -71.71 -34.68 52.83 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.956 -173.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.407 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 28.3 m -62.22 -53.19 58.82 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -171.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.03 -41.48 96.65 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -175.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 7' ' ' ARG . 11.3 ptm85 -73.08 -32.03 64.75 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.536 -176.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 8' ' ' LEU . 28.4 mt -67.92 -38.22 82.64 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.702 174.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 5' ' ' THR . 39.9 mt-10 -60.2 -30.3 69.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.467 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.94 -30.78 68.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.063 0.459 . . . . 0.0 110.767 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 63.4 mtt -75.39 -31.6 60.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.264 0.554 . . . . 0.0 109.904 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 12' ' ' LEU . 4.3 mm? -67.05 -28.36 68.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.454 177.242 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.58 -19.44 65.92 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.664 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -95.96 -6.73 38.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.473 175.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.51 42.91 79.76 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.407 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.8 m -149.79 99.12 2.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.075 0.464 . . . . 0.0 111.329 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -127.56 175.36 8.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.834 174.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.64 177.18 7.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.865 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -62.01 -42.6 99.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.556 -176.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tt -55.29 -43.44 74.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.14 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.14 -43.92 93.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.686 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.435 ' HA ' ' HD3' ' A' ' 22' ' ' ARG . 20.4 mmt180 -58.91 -44.51 91.28 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.78 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -65.94 -44.52 84.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.522 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.441 ' CG2' HG21 ' A' ' 4' ' ' ILE . 29.3 m -62.92 -37.66 87.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.086 -178.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.3 mt -60.86 -49.66 76.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.55 177.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.7 -38.91 96.23 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.689 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -56.74 -42.03 78.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.044 0.45 . . . . 0.0 110.306 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.4 m -66.75 -41.73 87.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.124 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -65.08 -41.28 95.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.653 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.31 83.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.033 0.444 . . . . 0.0 110.592 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.06 -22.34 61.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.392 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -87.08 3.56 45.68 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 67.06 21.07 10.28 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.764 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -104.54 73.64 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 175.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -65.65 -34.84 79.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.866 -174.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -56.72 -45.27 81.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.346 0.594 . . . . 0.0 111.183 -176.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.11 -26.87 61.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.023 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.74 -37.69 85.15 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.362 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mp -49.62 -55.22 24.19 Favored Pre-proline 0 N--CA 1.474 0.769 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -172.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -63.63 -36.4 53.09 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.631 1.554 . . . . 0.0 112.34 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -71.7 -41.57 68.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.041 -176.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.456 ' HB3' HD21 ' A' ' 59' ' ' LEU . 95.9 mt -69.4 -38.02 77.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.745 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -62.68 -40.33 96.78 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.67 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.68 88.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.211 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.17 -47.61 64.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.061 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.434 HD21 ' HB3' ' A' ' 55' ' ' ALA . 66.7 mt -64.36 -25.36 68.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.374 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -60.06 -36.44 77.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.502 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -76.32 -44.48 36.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.333 178.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -145.4 88.62 6.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.979 0.419 . . . . 0.0 111.335 -172.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -69.35 -7.96 22.32 Favored 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 123.169 2.579 . . . . 0.0 113.621 -175.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.425 ' HA ' ' HZ2' ' A' ' 56' ' ' TRP . 10.9 t -91.32 19.21 6.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.118 0.485 . . . . 0.0 111.321 -177.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -76.96 87.95 3.5 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.587 ' HB3' HG21 ' A' ' 91' ' ' VAL . 16.9 m -50.07 -40.22 44.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.682 -175.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.422 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 43.3 t -59.41 -37.9 72.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.99 0.424 . . . . 0.0 111.068 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -72.13 -31.05 65.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.752 -174.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.521 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 37.6 m0 -56.74 -48.24 78.23 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.254 0.55 . . . . 0.0 110.495 -177.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.664 ' HA ' HD21 ' A' ' 95' ' ' LEU . 16.8 ttpt -66.17 -38.74 88.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.609 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.422 ' HD1' ' O ' ' A' ' 54' ' ' VAL . 73.8 m95 -75.28 -41.81 56.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.456 HD21 ' HB3' ' A' ' 42' ' ' LEU . 3.4 mm? -56.97 -47.51 80.56 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.963 0.411 . . . . 0.0 111.079 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.04 -40.59 97.24 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.396 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 64' ' ' GLN . 18.4 ttpp -71.08 -26.22 62.96 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 121.185 0.517 . . . . 0.0 110.471 -179.155 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.2 m -70.47 -32.93 70.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.126 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.2 mt -69.27 -38.07 78.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.11 0.481 . . . . 0.0 109.803 174.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.4 ' HB3' ' O ' ' A' ' 61' ' ' LYS . 29.1 tt0 -56.93 -43.2 81.22 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.663 176.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.2 -11.35 55.37 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.689 -0.687 . . . . 0.0 113.38 -177.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -91.61 -7.51 49.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.838 0.351 . . . . 0.0 110.942 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.36 -17.3 51.43 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.311 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -87.77 80.17 7.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.464 0.65 . . . . 0.0 110.477 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.527 ' HB2' HD11 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -67.21 -29.41 69.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.681 179.756 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.407 ' N ' ' HD2' ' A' ' 69' ' ' ARG . . . -67.25 -46.68 72.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 110.817 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.05 -31.2 77.19 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.415 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.01 -51.03 66.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.591 -0.305 . . . . 0.0 111.255 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.56 ' HD3' HD12 ' A' ' 102' ' ' LEU . 48.1 ptt85 -67.16 -33.63 75.82 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.029 -178.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -61.64 -39.8 92.62 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.012 0.435 . . . . 0.0 110.324 175.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.77 91.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.5 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.516 ' CD1' HD22 ' A' ' 95' ' ' LEU . 19.4 m0 -67.28 -36.23 81.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.579 178.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -59.43 -43.59 93.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.014 174.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.4 m -73.28 -39.16 65.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.18 -27.72 73.55 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.1 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.54 -52.17 66.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.227 0.537 . . . . 0.0 110.114 177.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.29 -32.16 72.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.026 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.52 -48.25 78.31 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.405 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -62.47 -43.53 98.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.725 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.436 ' OE1' HG21 ' A' ' 92' ' ' VAL . 14.2 mm100 -58.6 -48.32 81.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.083 176.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.2 t -64.47 -39.34 93.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.413 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -84.23 -13.58 52.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.969 0.414 . . . . 0.0 111.039 -175.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.85 36.2 8.63 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.096 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -114.23 91.55 3.67 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.194 0.521 . . . . 0.0 109.668 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -65.28 -37.52 87.42 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.17 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.502 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 48.5 tt0 -56.39 -47.51 78.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.111 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.587 HG21 ' HB3' ' A' ' 53' ' ' SER . 60.2 t -60.68 -39.35 81.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.956 0.408 . . . . 0.0 110.103 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.551 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 89.3 t -58.73 -49.99 80.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.373 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -66.69 -36.51 82.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.466 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 40.9 mt-10 -61.91 -49.37 76.47 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.007 0.432 . . . . 0.0 110.192 176.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.664 HD21 ' HA ' ' A' ' 57' ' ' LYS . 75.9 mt -66.36 -32.79 74.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.079 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.619 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 76.2 mm-40 -56.36 -36.92 69.36 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.693 -0.23 . . . . 0.0 110.745 176.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.24 -45.31 98.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.935 0.398 . . . . 0.0 110.296 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -64.69 -35.84 82.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.62 178.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.8 -37.9 83.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.516 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 7.1 mmp_? -69.88 -49.43 52.31 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.496 0.665 . . . . 0.0 109.718 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -56.84 -46.5 81.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.072 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.56 HD12 ' HD3' ' A' ' 73' ' ' ARG . 0.3 OUTLIER -67.6 -38.84 84.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.682 -178.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.0 83.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.739 -177.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -65.19 -31.93 73.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.663 0.268 . . . . 0.0 110.914 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -70.0 -47.0 63.91 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.103 0.478 . . . . 0.0 110.62 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -71.49 -34.53 70.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.482 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.9 -26.89 49.52 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.358 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.49 -22.04 63.09 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -91.56 -0.6 57.61 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.953 0.406 . . . . 0.0 110.886 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 49.17 52.75 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.888 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -56.89 -29.62 63.17 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.671 -175.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -84.76 48.37 1.53 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.702 0.763 . . . . 0.0 110.148 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 25.5 p80 -87.92 -8.58 55.55 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.757 175.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -104.99 98.2 7.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.683 -178.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.784 -179.359 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 121.058 0.456 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.412 ' H ' ' CD ' ' A' ' 2' ' ' GLN . 0.6 OUTLIER -94.4 161.24 14.31 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.967 175.399 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -109.8 88.64 2.8 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.404 0.621 . . . . 0.0 110.52 177.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.479 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 60.5 mt -63.92 -22.99 32.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.78 176.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.45 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 16.2 p -59.73 -39.1 83.6 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.234 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.36 -42.17 95.21 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -176.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 4' ' ' ILE . 19.1 ptp180 -73.56 -32.7 64.31 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.589 178.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 96.7 mt -65.67 -48.06 73.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.477 177.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 5' ' ' THR . 9.5 mm-40 -53.07 -37.1 61.35 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.706 178.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.41 -49.75 72.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.084 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 72.3 mtm -62.15 -31.83 72.37 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.779 0.323 . . . . 0.0 111.446 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.657 ' HG ' ' HB2' ' A' ' 17' ' ' ASP . 10.0 mp -63.16 -33.63 75.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.709 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.01 -22.41 64.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.668 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -77.46 -2.22 34.25 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.815 0.34 . . . . 0.0 110.76 176.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.7 10.49 52.88 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.348 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -95.41 39.64 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.708 0.766 . . . . 0.0 110.426 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.657 ' HB2' ' HG ' ' A' ' 12' ' ' LEU . 10.7 t0 -109.35 114.34 27.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.274 178.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -114.95 -68.2 0.94 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.146 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -170.78 -44.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.723 HD22 ' HE2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -59.65 -45.88 90.68 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.243 -174.489 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 21' ' ' LEU . 6.1 mp -73.68 -22.42 59.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.066 0.46 . . . . 0.0 110.592 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.447 ' HD3' ' OD1' ' A' ' 17' ' ' ASP . 20.5 ttp180 -77.57 -45.57 24.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.771 -170.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.723 ' HE2' HD22 ' A' ' 20' ' ' LEU . 25.5 p90 -70.2 -31.66 69.21 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.075 177.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.5 m -58.08 -35.51 71.5 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.755 177.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 8' ' ' LEU . 93.7 mt -61.88 -49.48 76.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.318 175.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.605 ' HA3' ' HG ' ' A' ' 42' ' ' LEU . . . -59.5 -42.12 97.48 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.321 -178.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -56.59 -48.91 76.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.074 0.464 . . . . 0.0 110.567 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 14.9 m -69.36 -40.34 77.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.593 -175.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -62.97 -41.5 99.56 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 121.178 -0.209 . . . . 0.0 110.843 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.28 -45.35 84.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.167 0.508 . . . . 0.0 110.579 -178.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -67.92 -22.47 65.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.979 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.485 ' HB2' ' O ' ' A' ' 28' ' ' THR . 0.7 OUTLIER -92.5 10.94 28.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.901 -177.489 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 67.32 26.06 8.6 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.769 0.795 . . . . 0.0 110.68 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -110.0 46.1 1.05 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 175.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -50.33 -43.25 53.89 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.649 -172.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.7 -38.26 90.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.138 0.494 . . . . 0.0 110.837 -176.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.29 -27.71 61.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.968 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.65 -37.99 80.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.406 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.72 HD11 ' HG3' ' A' ' 66' ' ' GLN . 98.3 mt -51.96 -53.65 49.21 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 -172.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 14.7 Cg_endo -58.44 -42.16 58.02 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 122.097 1.865 . . . . 0.0 112.738 -179.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -68.48 -42.33 78.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.578 0.228 . . . . 0.0 111.013 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.605 ' HG ' ' HA3' ' A' ' 26' ' ' GLY . 81.2 mt -66.61 -42.25 87.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.55 178.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 43' ' ' ARG . 19.9 ttt180 -65.23 -41.99 93.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.415 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.63 -32.8 74.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.901 0.381 . . . . 0.0 110.946 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.38 -47.42 82.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.851 0.357 . . . . 0.0 110.46 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.441 HD21 ' HB3' ' A' ' 55' ' ' ALA . 82.7 mt -71.27 -25.51 62.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.772 178.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.33 -38.62 84.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.15 0.5 . . . . 0.0 110.446 176.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.445 ' HB2' ' NH2' ' A' ' 22' ' ' ARG . 75.7 t80 -80.79 -44.0 19.24 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.885 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -145.7 89.67 6.13 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 120.885 0.374 . . . . 0.0 110.299 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -66.66 -5.2 12.49 Favored 'Trans proline' 0 N--CA 1.472 0.255 0 C-N-CA 123.252 2.634 . . . . 0.0 113.547 -173.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.5 m -98.95 55.36 1.02 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.329 0.585 . . . . 0.0 110.693 -177.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.422 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 11.0 t80 -121.93 90.58 3.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.541 173.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.596 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 3.0 m -50.55 -34.36 25.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.849 -1.069 . . . . 0.0 113.403 -173.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.422 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 42.3 t -62.6 -38.71 82.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.881 0.372 . . . . 0.0 110.935 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.441 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -72.78 -28.26 62.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.753 -175.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.596 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 39.9 m0 -59.97 -49.85 76.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.959 0.409 . . . . 0.0 110.559 -177.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.477 ' HB3' HD21 ' A' ' 95' ' ' LEU . 9.9 pttp -67.78 -33.03 74.03 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 178.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.689 ' CE3' ' HD3' ' A' ' 61' ' ' LYS . 41.1 m95 -58.38 -45.83 87.54 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 110.681 -0.118 . . . . 0.0 110.681 176.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.1 mt -55.61 -49.75 71.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.416 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.03 -47.61 89.93 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 121.158 -0.544 . . . . 0.0 113.166 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.689 ' HD3' ' CE3' ' A' ' 58' ' ' TRP . 14.7 ptmm? -69.95 -24.79 63.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.89 0.376 . . . . 0.0 110.606 -177.088 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.2 m -74.91 -37.83 61.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.125 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.72 -31.28 72.19 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -178.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -62.13 -47.68 83.5 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.16 -16.04 79.28 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.128 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.72 ' HG3' HD11 ' A' ' 39' ' ' LEU . 26.0 tm0? -71.91 -26.86 62.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.76 -20.88 5.1 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.418 176.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -97.25 83.68 3.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.283 0.563 . . . . 0.0 110.418 -175.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.462 ' H ' ' HG2' ' A' ' 69' ' ' ARG . 2.9 ptm180 -65.33 -41.28 94.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.467 -178.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.39 -36.69 79.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.849 0.357 . . . . 0.0 110.568 176.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.86 -36.08 91.68 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.106 177.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.11 -49.19 77.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 110.418 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.471 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 54.0 ttp85 -57.9 -48.27 80.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.446 177.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -60.64 -38.99 86.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.251 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.83 95.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.57 ' CD1' HD22 ' A' ' 95' ' ' LEU . 13.3 m0 -66.62 -35.95 81.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.514 178.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 73' ' ' ARG . 46.3 mt-10 -61.01 -42.17 97.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.15 0.5 . . . . 0.0 110.119 176.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.6 t -68.35 -46.28 70.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.564 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.39 -28.26 73.63 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.387 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.443 HD11 HG13 ' A' ' 92' ' ' VAL . 12.9 tp -62.1 -53.47 54.99 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 120.668 0.271 . . . . 0.0 110.277 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.07 -33.16 71.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.913 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.24 -43.49 91.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.158 0.504 . . . . 0.0 109.9 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.561 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -69.27 -38.56 78.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.657 178.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -61.9 -45.73 92.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.512 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 t -61.52 -39.84 92.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.041 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.48 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 0.1 OUTLIER -76.64 -15.18 59.88 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.37 179.618 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.35 21.56 75.13 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.268 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.433 ' OD2' ' HB3' ' A' ' 86' ' ' ARG . 29.3 m-20 -85.61 80.03 9.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.284 0.564 . . . . 0.0 110.131 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -56.52 -39.59 73.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.388 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.447 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 43.7 tt0 -56.13 -47.02 78.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.077 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.57 HG21 ' HB3' ' A' ' 53' ' ' SER . 58.3 t -69.05 -37.66 77.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.074 -176.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.443 HG13 HD11 ' A' ' 80' ' ' LEU . 96.9 t -58.17 -48.71 83.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.276 176.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.446 ' O ' HG23 ' A' ' 97' ' ' VAL . 74.9 mmtt -61.8 -42.23 98.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.36 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 45.8 mt-10 -58.84 -48.32 81.76 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.876 0.369 . . . . 0.0 110.69 177.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.57 HD22 ' CD1' ' A' ' 76' ' ' TRP . 81.3 mt -66.74 -37.18 84.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.396 -178.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.681 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 13.9 mm100 -57.16 -39.92 76.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.2 178.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 93' ' ' LYS . 74.1 t -60.77 -46.68 95.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 120.666 0.269 . . . . 0.0 110.655 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -66.06 -41.95 90.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.004 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' A' ' 76' ' ' TRP . 67.4 mt -59.22 -34.68 72.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.713 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.681 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 57.5 mtm180 -69.09 -47.56 64.91 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 121.763 0.792 . . . . 0.0 110.068 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 101' ' ' ARG . 21.7 ttt180 -67.02 -37.27 83.83 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.306 -1.315 . . . . 0.0 111.145 -178.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.81 -40.65 95.56 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.42 -31.89 68.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.974 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 57.9 mtp180 -67.09 -28.93 68.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -75.2 -40.8 58.98 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.048 0.452 . . . . 0.0 110.124 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -59.99 -43.54 95.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.099 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.511 ' HA ' ' CB ' ' A' ' 111' ' ' HIS . . . -57.9 -32.78 68.06 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.249 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.47 -35.17 78.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.916 0.389 . . . . 0.0 111.469 -178.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -105.59 -66.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.41 1.1 . . . . 0.0 111.118 -177.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -70.09 -23.31 63.03 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 113.365 -1.743 . . . . 0.0 112.297 -169.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.511 ' CB ' ' HA ' ' A' ' 107' ' ' ALA . 15.8 t-80 -106.06 2.85 27.57 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.112 0.482 . . . . 0.0 110.462 -178.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -87.85 -2.41 58.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.272 0.558 . . . . 0.0 109.888 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -64.69 119.61 10.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.413 175.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -74.43 142.92 44.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.099 176.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 31.0 t60 . . . . . 0 C--O 1.25 1.086 0 O-C-N 123.86 0.725 . . . . 0.0 109.94 -176.671 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.966 0.412 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -88.88 149.76 23.2 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.985 177.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.608 ' HB3' ' HG3' ' A' ' 6' ' ' GLU . . . -80.75 112.44 18.12 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 176.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.455 ' O ' HD23 ' A' ' 8' ' ' LEU . 50.3 mm -55.76 -34.62 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.99 -177.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.79 -42.65 79.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.859 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.608 ' HG3' ' HB3' ' A' ' 3' ' ' ALA . 57.5 mt-10 -57.14 -50.76 71.82 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -74.2 -32.8 63.2 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.038 -176.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.506 HD12 ' HB2' ' A' ' 21' ' ' LEU . 4.4 mm? -66.19 -45.47 80.72 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.006 175.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.62 -33.0 74.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.474 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.65 -49.61 62.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.357 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.9 ptm -71.02 -26.09 62.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.963 0.411 . . . . 0.0 110.831 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.9 tp -59.6 -38.26 80.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.652 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.09 -34.27 70.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.301 -0.863 . . . . 0.0 113.03 -173.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -88.29 14.53 9.27 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.696 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.47 50.24 2.41 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.997 175.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.511 ' O ' HD21 ' A' ' 21' ' ' LEU . 6.9 m -113.85 75.96 0.96 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 173.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -112.46 104.14 12.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.795 -171.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.573 ' OD1' ' HG ' ' A' ' 21' ' ' LEU . 31.3 p30 -148.38 174.08 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.705 178.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.538 ' HG3' ' HB3' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -77.61 -20.42 53.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.941 -177.112 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 tt -63.98 -57.05 10.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.475 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.573 ' HG ' ' OD1' ' A' ' 18' ' ' ASN . 3.0 pp -73.64 -21.85 60.16 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.449 -177.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 18' ' ' ASN . 70.0 mtt180 -70.48 -37.64 74.28 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.01 174.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -68.93 -46.51 68.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.074 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.555 HG22 ' HA ' ' A' ' 21' ' ' LEU . 13.0 t -60.45 -34.19 73.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.657 0.265 . . . . 0.0 111.026 -177.157 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.9 mt -71.11 -46.78 61.04 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.473 ' HA2' ' CD2' ' A' ' 29' ' ' TYR . . . -61.75 -42.1 99.7 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.61 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -58.79 -38.67 79.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.705 0.288 . . . . 0.0 110.683 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.1 m -65.48 -35.28 80.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.685 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.624 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 18.9 m-85 -67.95 -42.47 80.9 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 175.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.88 -38.8 89.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.879 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.9 -23.64 66.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.078 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -101.32 14.75 30.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.954 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.423 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 29.9 tt0 65.53 22.53 11.8 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.689 176.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.624 ' HB2' ' HB3' ' A' ' 29' ' ' TYR . 47.9 mt-30 -87.57 45.82 1.31 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.302 0.573 . . . . 0.0 109.478 176.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.52 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 79.9 m-85 -59.97 -31.9 70.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.4 -172.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -59.74 -42.97 94.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.217 0.532 . . . . 0.0 110.427 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.68 -37.02 62.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.077 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.36 -38.47 71.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.095 -176.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.483 ' HB3' ' HD3' ' A' ' 40' ' ' PRO . 3.3 tt -50.52 -54.77 31.75 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -172.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' A' ' 39' ' ' LEU . 55.9 Cg_endo -71.14 -30.86 15.52 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 121.517 1.478 . . . . 0.0 112.173 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -71.58 -40.65 69.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.102 0.477 . . . . 0.0 110.29 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.5 mt -72.27 -40.61 67.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.924 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -58.6 -43.74 89.66 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.5 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.85 81.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.252 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.36 94.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.511 HD21 ' HB3' ' A' ' 55' ' ' ALA . 48.8 mt -68.72 -26.78 65.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.122 178.04 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.86 -36.92 70.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.151 0.5 . . . . 0.0 110.014 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -70.85 -44.51 66.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.337 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.538 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 10.5 t70 -149.07 88.85 5.01 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.938 0.399 . . . . 0.0 110.774 -176.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.07 -5.59 9.66 Favored 'Trans proline' 0 N--CA 1.474 0.334 0 C-N-CA 123.427 2.751 . . . . 0.0 113.686 -175.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.43 6.52 19.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.836 0.351 . . . . 0.0 111.916 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -83.51 81.87 8.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.946 0.403 . . . . 0.0 109.916 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.491 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 2.3 m -54.79 -38.27 67.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.28 -176.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.3 t -62.19 -35.59 69.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.109 0.48 . . . . 0.0 110.589 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.511 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -68.71 -30.07 68.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.467 -177.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.491 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 23.8 m0 -60.51 -47.09 87.68 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.813 0.816 . . . . 0.0 109.431 177.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 1.023 ' HA ' HD21 ' A' ' 95' ' ' LEU . 86.9 tttt -65.35 -43.16 91.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.326 -176.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.475 ' HA ' ' HD3' ' A' ' 61' ' ' LYS . 65.5 m95 -75.06 -28.9 60.56 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 55' ' ' ALA . 2.1 tm? -58.96 -50.96 72.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.327 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.33 -39.22 94.43 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.311 179.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.475 ' HD3' ' HA ' ' A' ' 58' ' ' TRP . 27.5 mtpp -61.29 -36.18 79.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.143 0.497 . . . . 0.0 110.563 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.52 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 25.3 m -69.57 -40.13 76.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.834 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.435 HD23 HD13 ' A' ' 59' ' ' LEU . 3.4 mm? -62.08 -39.66 93.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.121 177.089 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -66.43 -37.08 84.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.08 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.04 -24.46 62.99 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.379 176.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -34.03 62.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.05 -26.16 4.79 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.64 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -88.96 96.59 10.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.453 0.644 . . . . 0.0 110.49 -176.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 69' ' ' ARG . 17.5 ptt-85 -65.33 -24.24 67.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.065 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.66 94.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.36 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.48 -33.64 63.94 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.443 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.57 -50.99 71.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.616 0.245 . . . . 0.0 110.79 177.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -65.78 -37.85 87.44 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.455 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -44.07 86.28 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.138 0.494 . . . . 0.0 109.847 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.36 89.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.256 178.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.609 ' CD1' HD22 ' A' ' 95' ' ' LEU . 14.5 m0 -65.89 -41.6 91.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.372 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.8 -37.16 85.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.777 0.323 . . . . 0.0 110.924 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.2 m -70.22 -46.73 63.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.406 177.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.09 -29.19 74.73 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.183 178.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 tp -61.22 -50.62 72.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.136 0.493 . . . . 0.0 109.727 176.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.38 -31.93 73.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.702 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.64 86.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.012 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.24 92.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.586 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -62.04 -44.12 97.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.934 175.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.6 t -61.6 -33.04 73.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.822 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.481 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 2.9 mmp_? -84.74 -15.26 45.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.786 0.326 . . . . 0.0 111.764 178.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.66 30.98 34.32 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.745 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -105.18 83.65 2.0 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.016 0.436 . . . . 0.0 111.064 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -59.2 -35.01 72.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.911 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.561 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 39.0 tt0 -56.18 -47.66 77.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 45.9 t -68.55 -37.96 78.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.14 -176.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.5 t -58.5 -45.12 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.429 177.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 97' ' ' VAL . 57.6 mtmt -66.91 -41.3 87.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.097 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 76.0 mt-10 -63.75 -49.4 73.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.866 0.365 . . . . 0.0 111.317 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 1.023 HD21 ' HA ' ' A' ' 57' ' ' LYS . 23.9 mt -67.25 -31.95 72.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.457 -178.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -60.04 -34.09 72.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.762 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.568 ' HA ' ' HG3' ' A' ' 100' ' ' ARG . 64.5 t -59.55 -39.46 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 120.791 0.329 . . . . 0.0 110.853 -177.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -64.76 -42.65 94.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.956 0.408 . . . . 0.0 109.919 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.06 -31.67 72.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.654 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.568 ' HG3' ' HA ' ' A' ' 97' ' ' VAL . 1.4 mtp180 -63.8 -47.79 79.47 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 120.999 0.428 . . . . 0.0 110.3 -179.032 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -72.97 -36.64 67.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.373 178.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.415 ' HA ' HD22 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -58.33 -45.01 88.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.972 179.454 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.37 -32.27 73.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.074 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.521 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 78.6 mtp180 -68.39 -47.03 68.41 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 177.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -62.91 -39.8 95.64 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.09 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -69.6 -46.25 66.71 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.919 0.39 . . . . 0.0 110.544 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.01 -40.27 73.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.735 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 104' ' ' ARG . 93.9 mt -58.89 -37.71 77.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.688 0.28 . . . . 0.0 111.441 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -101.06 3.3 41.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.998 0.428 . . . . 0.0 111.868 -176.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -120.44 -0.28 10.38 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.287 177.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -164.08 86.57 0.48 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.777 -171.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -94.14 -14.46 25.65 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 171.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -150.35 174.32 13.0 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 167.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -101.58 98.79 9.05 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 119.703 -0.799 . . . . 0.0 109.855 174.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 55.9 t60 . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.216 -0.897 . . . . 0.0 109.372 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.1 mtp . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 120.63 0.252 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -165.88 153.06 10.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.788 0.328 . . . . 0.0 110.383 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.06 97.93 11.48 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.992 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.494 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 50.7 mm -56.81 -33.62 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.134 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.571 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -57.65 -36.04 71.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.076 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -66.6 -46.33 76.26 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -176.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -67.18 -31.59 72.09 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.009 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.629 ' O ' ' HG2' ' A' ' 11' ' ' MET . 96.2 mt -65.24 -41.57 94.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.465 175.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 5' ' ' THR . 50.6 mt-10 -62.15 -40.26 95.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.117 0.484 . . . . 0.0 110.544 175.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.66 -41.72 83.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.878 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.629 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 20.9 ptm -62.66 -25.77 68.31 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 111.512 0.189 . . . . 0.0 111.512 -176.218 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.411 HD11 HD21 ' A' ' 21' ' ' LEU . 8.6 mp -60.09 -44.48 94.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.92 0.39 . . . . 0.0 110.52 174.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.87 -6.9 54.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.049 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -92.49 3.66 55.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.53 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.17 58.82 2.39 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.851 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.0 m -153.24 103.51 2.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.771 0.32 . . . . 0.0 110.574 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -136.0 115.85 13.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.107 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.461 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 60.3 m-80 -132.81 165.26 24.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.351 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -63.96 -47.91 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 tp -60.83 -30.97 70.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.91 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.411 HD21 HD11 ' A' ' 12' ' ' LEU . 9.3 tt -66.52 -47.9 71.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.963 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.472 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 41.4 mtt180 -63.02 -36.23 82.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.041 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -66.68 -40.41 88.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.386 175.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.6 m -60.57 -37.13 80.29 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.558 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.554 ' O ' ' HD2' ' A' ' 29' ' ' TYR . 90.0 mt -61.41 -50.04 74.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.211 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.43 -43.19 97.65 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.093 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -57.45 -49.27 76.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.938 0.399 . . . . 0.0 110.735 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.0 m -64.64 -42.08 95.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.39 -176.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.554 ' HD2' ' O ' ' A' ' 25' ' ' LEU . 42.0 m-85 -64.73 -40.09 94.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.726 177.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.17 -40.8 90.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.402 . . . . 0.0 110.839 -178.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -65.24 -25.99 67.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.873 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -92.41 10.42 30.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.46 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 68.72 16.54 8.95 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.548 0.689 . . . . 0.0 110.779 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -91.16 46.28 1.3 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.212 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -50.37 -45.11 54.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.419 -0.809 . . . . 0.0 112.636 -172.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -60.15 -45.39 93.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.144 0.497 . . . . 0.0 110.761 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.9 -27.47 64.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.399 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.04 -37.87 84.85 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.987 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.4 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 97.6 mt -51.86 -54.31 41.69 Favored Pre-proline 0 CA--C 1.541 0.599 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -173.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 22.4 Cg_endo -62.86 -31.34 77.83 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 122.051 1.834 . . . . 0.0 112.34 -178.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -71.97 -39.73 69.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.921 0.391 . . . . 0.0 110.399 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.2 mt -71.0 -42.06 70.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.387 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -64.67 -32.55 74.26 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.226 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.3 94.8 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.006 0.431 . . . . 0.0 110.51 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 22' ' ' ARG . . . -68.43 -46.3 70.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.557 177.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.443 HD21 ' HB3' ' A' ' 55' ' ' ALA . 88.8 mt -66.87 -25.46 66.42 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.554 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -58.88 -45.92 89.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.114 0.483 . . . . 0.0 110.37 177.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -81.43 -44.46 17.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.189 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -139.02 88.19 13.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 121.198 0.523 . . . . 0.0 110.507 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.76 -2.96 12.23 Favored 'Trans proline' 0 CA--C 1.526 0.123 0 C-N-CA 123.106 2.538 . . . . 0.0 113.23 -177.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.61 15.74 2.01 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -170.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -92.64 96.69 10.34 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.004 -0.435 . . . . 0.0 110.496 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.837 ' HB3' HG21 ' A' ' 91' ' ' VAL . 15.5 m -55.59 -38.25 69.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.825 -174.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.3 t -58.15 -37.09 60.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 120.891 0.377 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.443 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -66.9 -28.99 68.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.04 -178.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.611 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 13.9 m0 -70.03 -44.74 68.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.392 0.615 . . . . 0.0 109.509 179.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.78 ' HA ' HD21 ' A' ' 95' ' ' LEU . 79.2 tttt -65.15 -39.1 92.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.966 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -74.74 -28.64 60.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.926 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -56.57 -50.75 71.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 110.482 -177.506 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.26 -41.07 99.66 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.033 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -61.51 -38.23 86.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.94 0.4 . . . . 0.0 111.366 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 49.9 m -64.55 -44.74 89.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.092 -178.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.1 -33.72 73.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.109 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -40.27 85.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.343 . . . . 0.0 110.243 175.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.04 -37.98 94.87 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.954 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -68.21 -23.17 64.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.143 0.496 . . . . 0.0 110.331 177.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.84 26.25 8.6 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.894 -0.67 . . . . 0.0 113.441 172.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -113.29 101.31 9.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.452 0.644 . . . . 0.0 110.245 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -62.58 -45.92 90.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.754 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' ' 73' ' ' ARG . . . -62.64 -44.02 97.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 111.652 -177.017 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.55 -38.07 93.08 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.847 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.4 -47.63 81.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.536 0.208 . . . . 0.0 111.253 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.663 ' HB3' HD21 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -65.07 -43.22 92.93 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.558 -177.777 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -68.94 -33.58 73.95 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.497 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.42 88.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.358 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 4.6 m0 -66.96 -41.77 86.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.447 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.95 -40.38 93.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.007 0.432 . . . . 0.0 110.406 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 m -71.36 -41.34 69.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.444 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.46 -33.15 83.88 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.177 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.76 -48.58 80.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.119 0.485 . . . . 0.0 109.742 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.85 -31.36 72.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.131 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.49 84.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.095 0.474 . . . . 0.0 110.003 175.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.583 ' HA ' ' CZ3' ' A' ' 56' ' ' TRP . . . -65.6 -40.73 92.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.831 177.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.26 -43.19 99.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.308 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.7 t -60.19 -40.19 89.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.731 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.734 ' HD2' ' HB2' ' A' ' 88' ' ' ASP . 2.0 tmt_? -76.08 -14.34 60.2 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 122.993 0.517 . . . . 0.0 111.031 177.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.6 19.58 74.87 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.944 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.734 ' HB2' ' HD2' ' A' ' 86' ' ' ARG . 32.0 t0 -86.6 78.4 9.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.619 0.723 . . . . 0.0 109.535 -175.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -61.47 -33.99 74.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.923 -1.035 . . . . 0.0 112.215 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -57.14 -45.84 83.2 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.528 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.837 HG21 ' HB3' ' A' ' 53' ' ' SER . 72.0 t -72.19 -36.66 56.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.86 178.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.556 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 71.2 t -56.46 -47.37 81.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -61.48 -35.96 79.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.149 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -68.19 -44.74 75.18 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.878 0.37 . . . . 0.0 110.707 177.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.78 HD21 ' HA ' ' A' ' 57' ' ' LYS . 48.5 mt -65.64 -36.1 82.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.439 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' A' ' 92' ' ' VAL . 18.6 mm-40 -56.44 -34.75 67.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.953 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 58.3 t -61.35 -41.15 88.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.955 0.407 . . . . 0.0 110.514 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.411 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 71.7 m-85 -67.3 -32.89 74.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.084 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 99' ' ' LEU . 4.1 mm? -64.38 -37.03 86.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.605 177.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.535 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 39.4 mtt180 -69.36 -45.16 70.03 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.875 0.845 . . . . 0.0 108.84 178.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -55.36 -47.51 75.64 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 113.816 -1.538 . . . . 0.0 110.419 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' A' ' 73' ' ' ARG . 41.5 tp -69.68 -41.3 75.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.421 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.23 73.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.31 -0.404 . . . . 0.0 112.045 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 46.3 mtp180 -62.14 -29.67 70.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.694 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -76.4 -47.83 21.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.219 0.533 . . . . 0.0 111.185 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -64.49 -47.28 79.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.851 -173.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.6 -27.64 62.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.319 -177.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 104' ' ' ARG . 57.1 mt -67.99 -25.26 65.32 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -174.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -70.52 -78.17 0.08 Allowed 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.44 0.638 . . . . 0.0 110.805 -174.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -161.35 14.35 0.1 Allowed 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.472 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -34.67 74.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.249 -175.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 63.74 5.78 2.4 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.244 0.545 . . . . 0.0 111.273 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -79.17 96.48 5.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.183 -0.323 . . . . 0.0 110.995 -175.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -84.81 -58.36 2.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 172.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 . . . . . 0 C--O 1.248 1.004 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.882 175.791 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 120.639 0.256 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.51 163.69 24.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.933 0.397 . . . . 0.0 110.191 176.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.18 95.44 10.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.202 0.525 . . . . 0.0 111.612 -174.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.591 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 51.2 mm -68.79 -31.88 52.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.608 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 p -65.44 -39.89 92.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.956 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -71.18 -36.27 71.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.586 -175.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -69.54 -31.49 69.74 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.352 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 96.4 mt -62.52 -41.92 99.18 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.849 0.357 . . . . 0.0 110.247 175.21 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -61.23 -40.56 94.46 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.751 175.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -64.73 -49.5 70.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.474 -179.257 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.0 ptm -68.09 -29.96 69.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.731 0.3 . . . . 0.0 110.978 -177.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -64.54 -43.34 94.29 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 176.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.08 -7.56 54.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.658 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 28.8 mm-40 -83.33 -3.41 57.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 111.024 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.59 34.3 4.47 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.333 176.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.4 m -128.0 87.38 2.6 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.041 0.448 . . . . 0.0 109.84 173.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.24 146.12 30.61 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.463 ' HB3' ' HB3' ' A' ' 21' ' ' LEU . 4.9 t-20 -148.2 178.09 8.85 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -176.336 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -102.65 -61.39 1.4 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.01 -35.8 80.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.886 -177.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.463 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . 2.4 tm? -58.14 -47.69 82.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.626 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.41 ' HD3' HH11 ' A' ' 22' ' ' ARG . 12.1 ptp180 -71.54 -30.37 65.81 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.573 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -69.7 -49.94 48.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.757 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.2 t -66.16 -33.25 75.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.681 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tt -56.7 -50.04 73.36 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 177.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.6 -38.76 61.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.089 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -58.49 -36.92 74.52 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 122.443 0.297 . . . . 0.0 111.261 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.6 m -61.01 -35.97 78.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.729 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -66.02 -43.45 87.59 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 176.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.47 98.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.768 -178.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -63.18 -34.87 78.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.267 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -90.7 19.14 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.217 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.465 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 31.0 tt0 72.3 15.86 5.21 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.433 0.635 . . . . 0.0 111.863 172.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -103.43 46.74 0.91 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.465 ' CE1' ' HA ' ' A' ' 33' ' ' GLU . 95.6 m-85 -50.84 -33.71 24.88 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 114.743 -1.117 . . . . 0.0 112.273 -175.012 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -53.4 -40.0 64.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.393 0.616 . . . . 0.0 111.358 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.6 -26.55 59.99 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.177 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.66 -36.95 76.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.571 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.424 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 6.7 mp -48.75 -54.33 28.41 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -172.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 21.8 Cg_endo -62.85 -36.71 59.75 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 121.821 1.681 . . . . 0.0 112.901 -178.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -71.99 -42.48 66.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.621 -177.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mp -65.0 -40.56 95.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.79 0.329 . . . . 0.0 110.821 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -68.51 -31.32 70.49 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.884 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.92 -31.13 68.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.875 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.28 -35.41 76.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.303 0.573 . . . . 0.0 110.103 174.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.431 HD11 HD11 ' A' ' 59' ' ' LEU . 97.1 mt -64.32 -24.11 67.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.978 177.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -58.99 -45.2 91.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.179 0.514 . . . . 0.0 110.624 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -81.03 -40.13 24.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.413 -178.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -143.41 87.41 8.46 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 120.773 0.321 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -70.45 -8.65 24.11 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.362 2.041 . . . . 0.0 111.575 179.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.602 ' HA ' ' HZ2' ' A' ' 56' ' ' TRP . 10.3 p -97.94 16.81 19.84 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.15 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -77.76 89.17 4.01 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.745 ' HB3' HG21 ' A' ' 91' ' ' VAL . 2.2 m -49.49 -36.29 22.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.151 -0.931 . . . . 0.0 112.609 -175.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.4 t -62.78 -37.54 79.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.962 0.41 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.586 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -68.94 -35.92 77.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.205 -177.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.602 ' HZ2' ' HA ' ' A' ' 51' ' ' THR . 29.0 m0 -57.22 -45.2 84.06 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.478 0.656 . . . . 0.0 109.917 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 1.027 ' HA ' HD21 ' A' ' 95' ' ' LEU . 61.7 tttt -65.28 -36.49 84.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.656 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -75.34 -30.77 60.35 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 78.4 mt -56.1 -49.98 72.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.856 0.36 . . . . 0.0 111.31 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.568 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -58.82 -44.1 96.15 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.662 178.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -65.98 -30.66 71.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.714 0.292 . . . . 0.0 111.352 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.449 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . 45.7 m -69.32 -44.23 72.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.723 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.9 mt -68.62 -31.96 71.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.955 0.407 . . . . 0.0 110.837 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -68.62 -30.47 69.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.645 174.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.84 -25.73 64.1 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.764 -0.732 . . . . 0.0 111.756 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -70.88 -48.95 51.01 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.18 24.26 2.49 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.499 -0.857 . . . . 0.0 113.257 175.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -114.37 105.4 13.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.452 0.644 . . . . 0.0 110.736 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.563 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 25.6 ttp180 -62.5 -44.28 96.76 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.848 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.78 -45.1 83.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.668 0.271 . . . . 0.0 111.719 -176.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.45 -39.89 95.97 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.885 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.47 86.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.456 0.17 . . . . 0.0 111.446 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' ' 69' ' ' ARG . 1.8 ptm180 -65.17 -42.63 93.49 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.928 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -66.91 -38.06 85.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.696 0.284 . . . . 0.0 110.689 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.11 -43.32 98.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.742 177.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.632 ' CD1' HD22 ' A' ' 95' ' ' LEU . 8.0 m0 -63.66 -40.62 97.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.937 178.448 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 73' ' ' ARG . 45.9 mm-40 -61.02 -40.05 92.08 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.871 0.367 . . . . 0.0 110.53 175.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.5 m -67.2 -45.77 75.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.537 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.28 -34.32 80.06 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.12 -0.562 . . . . 0.0 111.944 178.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 76' ' ' TRP . 10.7 tp -61.06 -52.31 65.5 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 178.124 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.92 -31.82 72.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.128 178.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 86' ' ' ARG . . . -65.09 -46.12 82.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.842 176.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.402 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -68.88 -36.97 78.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.858 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -59.0 -46.89 87.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.29 174.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.4 t -67.05 -39.29 86.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.147 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.52 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -76.34 -14.61 60.09 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.596 -177.117 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.99 17.51 74.49 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.577 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -93.63 80.69 4.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.143 0.496 . . . . 0.0 110.274 -178.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -55.96 -41.55 74.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.112 -178.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -56.13 -42.74 77.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.048 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.745 HG21 ' HB3' ' A' ' 53' ' ' SER . 48.2 t -68.34 -38.23 79.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.326 -179.148 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.51 -49.4 82.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.499 176.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.532 ' O ' HG23 ' A' ' 97' ' ' VAL . 69.5 mmtt -65.77 -38.24 88.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.824 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.87 -49.4 77.89 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 120.606 0.241 . . . . 0.0 111.564 175.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 1.027 HD21 ' HA ' ' A' ' 57' ' ' LYS . 81.4 mt -68.96 -33.99 74.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.573 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 50.4 tt0 -57.2 -42.27 80.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.833 177.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 93' ' ' LYS . 89.5 t -60.92 -42.17 91.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.764 0.316 . . . . 0.0 111.032 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -66.99 -35.27 79.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.903 0.382 . . . . 0.0 110.976 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 96' ' ' GLN . 88.0 mt -61.22 -36.35 79.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.525 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.573 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 16.3 mmm180 -70.98 -46.93 61.48 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-O 121.249 0.547 . . . . 0.0 109.884 -178.286 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.6 ttp85 -53.88 -46.76 71.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.573 175.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.23 -42.28 98.34 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.21 -33.12 75.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.549 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 54.9 mtt180 -64.16 -46.35 84.42 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.15 0.5 . . . . 0.0 110.168 176.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.51 -33.55 64.82 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.004 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -63.46 -46.98 83.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.182 174.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.76 -27.77 43.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.581 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.2 mt -55.56 -38.06 68.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.959 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -103.24 -32.26 9.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.558 0.694 . . . . 0.0 110.838 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -85.86 4.06 38.92 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.381 -170.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -57.08 -56.11 26.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.69 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -135.3 70.01 1.44 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.507 0.67 . . . . 0.0 109.772 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -143.94 123.58 13.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.842 177.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -92.61 -24.61 18.63 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 176.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.335 -0.84 . . . . 0.0 109.667 176.494 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.54 ' OE1' ' HA ' ' A' ' 2' ' ' GLN . 5.5 tp60 -63.86 150.29 45.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.058 0.456 . . . . 0.0 111.088 -175.12 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.21 103.35 2.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.332 -171.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 59.6 mt -71.66 -25.13 24.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.096 175.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -34.12 66.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.554 -178.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -64.52 -45.75 85.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.31 -176.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -73.42 -32.8 64.63 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.7 0.286 . . . . 0.0 110.563 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.56 -40.81 89.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.878 0.371 . . . . 0.0 110.248 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.477 ' HA ' HD13 ' A' ' 12' ' ' LEU . 43.5 tt0 -66.62 -32.63 74.08 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.554 177.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.78 -30.05 71.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.031 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 86.6 mtp -63.31 -30.12 71.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.354 -178.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 9' ' ' GLU . 10.5 mp -59.0 -39.5 82.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.149 0.499 . . . . 0.0 110.647 178.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.4 -13.84 61.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.025 -178.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -86.45 -5.27 59.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.643 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.55 -27.32 15.53 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.855 -0.688 . . . . 0.0 113.28 175.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.9 m -86.12 79.46 9.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.653 0.74 . . . . 0.0 110.89 -176.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.635 ' HA ' HD21 ' A' ' 21' ' ' LEU . 31.8 t70 -142.6 113.46 7.51 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.638 172.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -135.04 -76.95 0.45 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.965 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.8 tpt -145.4 -57.3 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.78 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.598 HD13 ' HE1' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -77.01 71.51 3.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.314 0.578 . . . . 0.0 110.461 -173.012 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.635 HD21 ' HA ' ' A' ' 17' ' ' ASP . 3.7 pp -175.14 -33.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.433 175.156 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -73.11 -16.35 61.46 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.748 -175.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.598 ' HE1' HD13 ' A' ' 20' ' ' LEU . 22.1 p90 -69.96 -33.58 72.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.021 0.439 . . . . 0.0 110.34 177.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.6 m -66.94 -33.92 76.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.161 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.2 mt -60.55 -44.25 96.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.726 174.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.412 ' HA2' ' HD2' ' A' ' 29' ' ' TYR . . . -58.85 -43.26 96.72 Favored Glycine 0 C--N 1.333 0.401 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.89 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HG2' ' CZ2' ' A' ' 58' ' ' TRP . 92.9 mttt -56.68 -49.04 76.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.338 0.589 . . . . 0.0 110.487 175.012 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.3 m -63.4 -35.59 80.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.276 -175.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.412 ' HD2' ' HA2' ' A' ' 26' ' ' GLY . 29.1 m-85 -62.44 -47.23 84.98 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 175.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.05 87.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.418 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.39 -30.15 70.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -88.99 4.92 46.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.066 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 64.37 26.03 13.51 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.248 0.547 . . . . 0.0 111.282 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -98.69 45.94 1.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.609 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -52.59 -39.79 61.98 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.403 -173.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -54.84 -41.46 70.77 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.415 0.626 . . . . 0.0 111.098 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.58 -27.41 61.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.95 -177.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.2 -38.25 78.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.371 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.403 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 8.2 mp -51.08 -54.82 33.63 Favored Pre-proline 0 N--CA 1.472 0.629 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -173.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 18.5 Cg_endo -61.45 -38.66 61.91 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 121.738 1.625 . . . . 0.0 112.602 -179.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -71.93 -39.65 69.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.014 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.7 mt -71.1 -38.8 72.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.729 0.299 . . . . 0.0 110.85 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.1 tpt180 -63.21 -36.74 84.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.272 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.79 -43.33 68.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.081 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.8 -47.34 86.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.1 0.476 . . . . 0.0 110.998 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.401 HD21 ' HB3' ' A' ' 55' ' ' ALA . 82.6 mt -67.31 -24.32 65.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.121 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -69.58 -34.6 74.38 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.879 0.371 . . . . 0.0 110.405 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -81.5 -44.19 17.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.003 177.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -142.98 86.84 9.06 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.066 0.46 . . . . 0.0 110.293 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.55 -6.31 18.81 Favored 'Trans proline' 0 N--CA 1.475 0.407 0 C-N-CA 123.21 2.607 . . . . 0.0 113.783 -172.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.464 ' HA ' ' HZ2' ' A' ' 56' ' ' TRP . 11.9 t -96.14 14.18 24.81 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.778 0.323 . . . . 0.0 111.286 -175.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.512 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 25.1 t80 -75.4 91.31 2.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.125 0.488 . . . . 0.0 109.941 176.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.65 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 1.6 m -48.8 -36.8 17.5 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.311 1.044 . . . . 0.0 113.661 -174.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.512 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 54.9 t -60.53 -40.28 83.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.878 0.37 . . . . 0.0 110.738 -178.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.401 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -68.93 -28.3 66.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.723 -176.006 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.65 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 43.2 m0 -58.08 -45.6 86.88 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.232 0.539 . . . . 0.0 110.516 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -64.8 -45.34 86.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.27 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.499 ' HD1' ' O ' ' A' ' 54' ' ' VAL . 87.4 m95 -67.47 -42.63 82.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.146 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.23 -49.52 75.75 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.05 -37.52 93.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.62 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -70.28 -24.3 63.02 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-O 120.805 0.336 . . . . 0.0 111.008 -177.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 84.9 m -58.7 -38.64 78.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.986 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.06 -42.46 94.57 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.912 177.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.6 tp60 -61.47 -44.41 97.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.405 177.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.68 -27.15 73.62 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.325 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -78.03 -37.31 47.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.827 0.346 . . . . 0.0 110.233 177.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.9 -0.83 7.26 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.433 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -95.72 89.69 5.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.132 0.492 . . . . 0.0 110.277 -179.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.666 ' HD3' ' HB3' ' A' ' 105' ' ' GLU . 5.5 ptp85 -65.94 -33.67 76.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.056 178.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.01 -47.13 69.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.309 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.48 -37.87 94.84 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.927 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.16 -46.9 85.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.611 0.243 . . . . 0.0 110.747 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -58.62 -50.46 73.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.62 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -64.71 -37.14 86.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.057 -177.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.06 -44.15 80.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.056 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.55 ' HB3' HD21 ' A' ' 99' ' ' LEU . 21.5 m0 -67.52 -37.02 82.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.446 -178.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -61.83 -37.79 85.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.111 0.481 . . . . 0.0 110.384 175.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.4 t -72.6 -40.41 66.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.233 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.78 -31.26 67.54 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.504 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.4 tp -60.98 -50.86 71.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.033 0.444 . . . . 0.0 110.275 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.05 -33.44 73.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.104 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.97 -47.53 77.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.903 0.383 . . . . 0.0 110.002 176.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.638 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -64.57 -41.12 96.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.707 178.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -59.83 -47.75 84.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.0 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.0 t -61.97 -39.41 92.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.506 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 13.2 mmt180 -86.76 -11.57 50.67 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -177.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.09 21.15 57.82 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.643 -0.789 . . . . 0.0 113.042 175.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.16 75.18 9.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.816 0.817 . . . . 0.0 109.683 175.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -60.75 -38.62 85.79 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.256 -1.338 . . . . 0.0 111.763 -174.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.653 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 32.0 tt0 -55.93 -48.15 76.24 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.56 177.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.82 -37.98 81.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.559 -176.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 65.1 t -57.96 -53.17 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.306 177.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.44 ' HD3' ' OE1' ' A' ' 96' ' ' GLN . 74.0 mmtt -66.3 -30.91 71.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.932 -177.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.653 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 49.2 mt-10 -67.88 -47.15 69.67 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.721 0.296 . . . . 0.0 110.548 176.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.0 mt -66.35 -37.16 84.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.461 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.44 ' OE1' ' HD3' ' A' ' 93' ' ' LYS . 48.5 mt-30 -57.78 -31.03 66.14 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 179.185 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 96.9 t -61.85 -43.93 98.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-O 121.175 0.512 . . . . 0.0 110.415 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -67.35 -38.17 84.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.093 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.55 HD21 ' HB3' ' A' ' 76' ' ' TRP . 3.9 mm? -57.55 -34.4 69.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.845 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.405 ' HD2' HH11 ' A' ' 100' ' ' ARG . 9.5 mtm180 -66.93 -47.36 71.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.292 0.568 . . . . 0.0 110.405 -179.179 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 101' ' ' ARG . 36.0 ttp180 -71.82 -35.13 69.83 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.566 -177.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.436 ' HG ' ' HZ3' ' A' ' 76' ' ' TRP . 3.3 tm? -65.39 -36.92 85.43 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.076 177.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.43 -30.78 61.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.37 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -56.19 -45.31 79.84 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.667 0.27 . . . . 0.0 110.739 -178.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.666 ' HB3' ' HD3' ' A' ' 69' ' ' ARG . 40.1 mt-10 -63.5 -42.41 98.52 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.114 0.483 . . . . 0.0 110.967 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -72.2 -45.97 58.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.376 -177.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.35 -48.13 81.15 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.7 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 71.2 mt -80.81 -27.3 36.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.642 0.258 . . . . 0.0 111.357 -178.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 54.81 52.99 11.11 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.548 -174.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 86.1 t60 62.33 20.75 12.04 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.483 0.659 . . . . 0.0 110.11 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 68.17 24.53 7.59 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.361 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -130.52 74.55 1.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.49 0.662 . . . . 0.0 110.322 -178.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -71.81 161.92 30.23 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.357 174.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -121.56 93.07 3.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.858 0.361 . . . . 0.0 110.793 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 38.1 m80 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.514 -0.755 . . . . 0.0 109.937 176.75 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.6 mtp . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -137.25 144.96 43.02 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 64.46 156.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 122.205 1.003 . . . . 0.0 112.116 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.5 mm -71.14 -18.17 20.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.827 176.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -55.9 -47.1 78.04 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.805 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -67.91 -41.84 82.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.734 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.588 ' O ' ' HG3' ' A' ' 11' ' ' MET . 5.8 ppt_? -72.56 -31.19 65.07 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.349 -175.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.651 ' HB2' HD21 ' A' ' 25' ' ' LEU . 67.8 mt -63.68 -50.7 68.21 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.216 -0.194 . . . . 0.0 111.104 178.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -59.66 -32.79 70.8 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.873 0.368 . . . . 0.0 111.328 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.81 -30.17 68.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.26 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.625 ' HA ' ' OE1' ' A' ' 14' ' ' GLN . 91.9 mtp -63.42 -27.56 69.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.862 -176.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.425 ' HG ' ' HA ' ' A' ' 17' ' ' ASP . 8.9 mp -63.62 -30.69 71.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.33 . . . . 0.0 110.877 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.92 -16.63 63.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.538 -177.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.625 ' OE1' ' HA ' ' A' ' 11' ' ' MET . 2.1 mp0 -78.19 4.13 13.42 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.151 178.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.79 33.32 4.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 0.0 113.307 173.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.3 m -154.46 96.6 1.92 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.982 0.42 . . . . 0.0 111.179 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.425 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 9.6 p-10 -93.29 96.1 9.77 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.749 0.785 . . . . 0.0 109.301 173.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -108.38 147.9 30.88 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.833 -176.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.72 -32.21 35.83 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.15 -172.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.7 tp -66.2 -32.93 74.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.117 0.484 . . . . 0.0 110.219 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 tt -64.32 -45.8 86.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.324 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.648 ' HG2' HD12 ' A' ' 25' ' ' LEU . 57.4 mtt180 -75.95 -17.16 59.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.579 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.43 -41.91 93.01 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 169.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.7 m -62.37 -38.99 91.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.856 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.651 HD21 ' HB2' ' A' ' 8' ' ' LEU . 34.1 mt -59.68 -46.24 89.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.544 177.025 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.434 ' HA2' ' HD2' ' A' ' 29' ' ' TYR . . . -58.98 -42.72 97.01 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.822 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 14.6 tmtt? -63.22 -40.27 96.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.374 -0.413 . . . . 0.0 110.57 176.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 m -69.64 -35.6 75.36 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.336 -179.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.518 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 21.7 m-85 -56.71 -46.5 81.22 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.987 0.422 . . . . 0.0 110.879 177.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.67 75.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.659 -175.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 27' ' ' LYS . 41.1 mt-10 -69.22 -33.38 73.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.015 0.436 . . . . 0.0 111.02 -178.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -93.24 12.54 24.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.525 -178.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.425 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 28.0 tt0 63.67 28.91 15.08 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.997 176.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -97.79 45.1 1.03 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.763 0.792 . . . . 0.0 109.08 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.488 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 81.7 m-85 -60.38 -32.07 70.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.735 -1.121 . . . . 0.0 112.176 -173.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.14 -45.01 96.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.353 0.597 . . . . 0.0 110.32 -177.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.5 -28.4 60.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.6 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 29' ' ' TYR . . . -68.34 -37.13 80.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.889 -178.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.576 HD11 ' HG3' ' A' ' 66' ' ' GLN . 89.3 mt -49.66 -54.39 31.81 Favored Pre-proline 0 CA--C 1.541 0.607 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -173.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 51.6 Cg_endo -71.42 -32.24 12.73 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 121.449 1.433 . . . . 0.0 111.536 178.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -66.78 -37.02 83.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.541 -177.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.44 -43.23 67.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.298 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -61.1 -38.25 85.62 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.729 0.299 . . . . 0.0 110.693 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.06 -36.47 79.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.927 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.17 81.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.737 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.5 -25.63 68.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.115 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.26 -38.76 88.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.135 0.493 . . . . 0.0 110.496 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -80.81 -43.57 19.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.645 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -145.55 87.26 7.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 120.971 0.415 . . . . 0.0 110.899 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.54 -4.98 16.29 Favored 'Trans proline' 0 N--CA 1.466 -0.126 0 C-N-CA 122.618 2.212 . . . . 0.0 112.195 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.7 p -93.3 11.65 27.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.956 -177.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.501 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 10.9 t80 -81.62 94.63 6.97 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 175.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.503 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 11.8 m -52.02 -41.02 61.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.715 -175.289 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.501 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 93.1 t -61.27 -36.18 71.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.934 0.397 . . . . 0.0 111.05 -179.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.06 -29.49 70.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.396 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.542 ' HH2' ' HG3' ' A' ' 86' ' ' ARG . 27.6 m0 -63.55 -45.73 89.18 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.444 0.64 . . . . 0.0 110.112 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.944 ' HA ' HD21 ' A' ' 95' ' ' LEU . 82.4 tttt -65.21 -39.21 92.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.964 -177.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -75.77 -29.65 58.85 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.67 -48.1 78.37 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 110.239 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.64 -39.14 97.52 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.051 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -66.96 -33.46 75.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.488 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 29.9 m -64.09 -43.23 96.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.515 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.24 -38.8 78.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.561 177.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -59.91 -49.65 76.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.169 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.15 -18.87 78.22 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.957 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.576 ' HG3' HD11 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -73.06 -30.69 63.89 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -178.758 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.49 -10.42 3.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.109 -1.043 . . . . 0.0 114.107 174.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -113.12 106.32 14.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.807 0.813 . . . . 0.0 111.682 -178.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.535 ' HD2' ' N ' ' A' ' 70' ' ' ALA . 1.9 ppt_? -65.29 -27.96 68.99 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.855 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.535 ' N ' ' HD2' ' A' ' 69' ' ' ARG . . . -66.96 -50.06 63.51 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.249 -173.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.07 -38.53 96.27 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.825 177.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.44 -47.98 83.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.536 0.208 . . . . 0.0 110.928 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -56.13 -50.77 70.19 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.419 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.67 -42.24 92.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.589 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.5 -47.09 87.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.34 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.556 ' CD1' HD22 ' A' ' 95' ' ' LEU . 12.3 m0 -65.27 -47.62 76.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.125 -178.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.6 -35.14 78.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.124 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.3 m -73.41 -45.91 51.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.795 0.331 . . . . 0.0 110.714 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.79 -23.68 69.31 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 121.379 -0.438 . . . . 0.0 112.725 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.9 tp -57.04 -45.02 83.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.215 0.531 . . . . 0.0 110.029 176.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.68 -31.09 71.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.123 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.01 87.27 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.41 -43.48 90.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.601 177.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -57.38 -45.6 84.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.28 174.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 t -59.02 -28.97 66.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.678 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.542 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 18.6 mmm180 -95.07 -13.61 25.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.598 0.237 . . . . 0.0 111.168 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.39 18.56 56.94 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.971 -0.633 . . . . 0.0 113.203 177.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.461 ' O ' HG23 ' A' ' 92' ' ' VAL . 4.3 m-20 -88.99 78.81 7.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.929 0.395 . . . . 0.0 111.12 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -56.93 -37.94 72.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.838 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.487 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 32.7 tt0 -56.31 -47.55 78.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.854 176.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.35 -38.54 82.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.14 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 88' ' ' ASP . 86.3 t -58.17 -44.97 88.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.324 176.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.528 ' O ' HG23 ' A' ' 97' ' ' VAL . 57.2 mtmt -67.0 -41.97 85.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 45.3 mt-10 -60.19 -48.91 79.74 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 120.887 0.375 . . . . 0.0 110.981 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.944 HD21 ' HA ' ' A' ' 57' ' ' LYS . 49.9 mt -68.88 -32.49 72.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.167 -179.044 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -59.89 -39.52 85.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.987 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 93' ' ' LYS . 64.9 t -59.48 -37.91 72.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.922 -177.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.45 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 92.9 m-85 -62.44 -45.63 92.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.629 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.438 HD21 ' HB2' ' A' ' 76' ' ' TRP . 89.0 mt -62.02 -33.88 75.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.964 -176.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 100' ' ' ARG . 7.5 mtm180 -68.71 -44.61 73.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.409 0.623 . . . . 0.0 110.307 -176.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -70.65 -41.31 72.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.799 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.661 HD13 ' HB2' ' A' ' 106' ' ' ASP . 2.6 tm? -62.93 -43.45 98.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.98 -31.56 60.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.9 -178.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 104' ' ' ARG . 21.3 mtp180 -59.75 -47.69 84.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.974 -179.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -76.41 -38.75 55.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.079 0.466 . . . . 0.0 111.157 175.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.661 ' HB2' HD13 ' A' ' 102' ' ' LEU . 14.7 t70 -62.31 -37.7 86.57 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.676 -175.086 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.53 -40.33 78.55 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.223 178.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.5 mt -81.23 -51.27 8.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.718 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 106' ' ' ASP . 48.8 mt-10 65.66 -2.4 0.87 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.517 0.727 . . . . 0.0 112.057 -175.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -108.67 -23.6 11.72 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.047 0.451 . . . . 0.0 111.932 -171.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -83.63 -1.89 54.92 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.377 -169.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.428 ' O ' ' HB3' ' A' ' 113' ' ' HIS . 19.6 p80 -99.69 -3.27 33.37 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 118.969 -1.092 . . . . 0.0 113.876 -171.072 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.428 ' HB3' ' O ' ' A' ' 112' ' ' HIS . 43.5 p-80 -175.61 30.73 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 170.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -164.72 151.83 11.21 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.69 -0.632 . . . . 0.0 111.199 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 65.5 m80 . . . . . 0 C--O 1.245 0.824 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.374 172.607 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.5 ptp . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.974 0.416 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -104.55 -175.38 2.78 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.981 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.22 63.18 1.64 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.175 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.488 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 46.7 mm -56.87 -38.91 61.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.332 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.7 t -58.6 -35.52 72.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.259 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.71 -49.1 69.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.715 0.293 . . . . 0.0 110.939 -175.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 4' ' ' ILE . 5.9 ppt_? -66.92 -31.19 71.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.407 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.1 -46.03 75.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.848 176.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.78 -35.47 78.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.002 0.429 . . . . 0.0 110.376 177.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -65.57 -49.6 68.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.199 178.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.8 ptm -69.03 -28.85 66.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.603 0.239 . . . . 0.0 110.556 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.518 HD12 HD22 ' A' ' 21' ' ' LEU . 6.7 tt -62.93 -40.72 98.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.32 -9.3 58.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.366 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 28.8 mm-40 -88.62 -5.3 58.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.923 0.392 . . . . 0.0 110.583 176.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.58 49.7 0.64 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.16 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.442 ' HB ' ' HA ' ' A' ' 12' ' ' LEU . 14.5 m -129.35 89.77 2.9 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -106.56 89.81 3.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.956 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.504 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 89.2 m-20 -119.33 157.47 28.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.913 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 19.5 ttt -73.22 -49.6 27.01 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.413 178.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.17 -42.56 98.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.594 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.518 HD22 HD12 ' A' ' 12' ' ' LEU . 5.2 tt -58.92 -37.7 77.27 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 -177.469 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 18' ' ' ASN . 69.1 mtt180 -59.31 -39.18 82.22 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.727 178.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -70.14 -42.95 71.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.989 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.4 m -56.52 -41.56 76.93 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.138 -178.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.411 HD12 ' HE1' ' A' ' 41' ' ' HIS . 94.1 mt -60.91 -48.89 79.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.383 176.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.31 -41.39 99.52 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.418 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -59.66 -39.72 85.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.864 0.364 . . . . 0.0 110.458 177.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.7 m -65.38 -43.9 89.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.784 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -64.15 -43.57 94.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.935 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.65 -44.34 96.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.132 -176.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.49 -36.95 74.55 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 121.15 0.5 . . . . 0.0 110.873 176.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -91.39 21.78 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.44 -176.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 69.56 19.85 7.29 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.05 172.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -104.13 46.23 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.845 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.475 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 82.5 m-85 -52.87 -36.38 59.0 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.996 -177.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -52.73 -48.53 66.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.842 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.09 -30.31 69.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.158 -176.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.91 -37.02 70.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.748 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 35' ' ' PHE . 95.6 mt -49.48 -54.89 25.96 Favored Pre-proline 0 N--CA 1.469 0.511 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -171.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 43.4 Cg_endo -69.06 -32.3 21.77 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 121.526 1.484 . . . . 0.0 112.34 -177.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.411 ' HE1' HD12 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -71.24 -42.69 68.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.599 -176.475 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.2 -40.11 71.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.767 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -62.56 -40.69 97.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.572 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 47' ' ' ASP . . . -64.26 -41.63 96.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.794 0.33 . . . . 0.0 111.174 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.0 -45.55 67.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.257 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.0 mt -65.14 -24.96 67.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.932 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 29.8 t70 -59.72 -45.43 92.19 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.826 176.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -77.2 -43.52 33.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.43 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -149.08 89.21 4.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 121.296 0.569 . . . . 0.0 110.754 -177.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.25 -2.4 11.13 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 123.184 2.589 . . . . 0.0 113.535 -176.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.63 -6.88 28.37 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -174.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.478 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 16.1 t80 -69.54 94.3 0.75 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.067 0.46 . . . . 0.0 110.016 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.426 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 1.4 p -61.4 -34.25 75.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.778 -172.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.478 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 59.2 t -63.16 -35.92 73.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.084 0.468 . . . . 0.0 110.713 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.3 -28.44 68.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.676 -175.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.812 ' HH2' ' HG3' ' A' ' 86' ' ' ARG . 37.3 m0 -58.67 -47.66 83.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.035 0.445 . . . . 0.0 110.738 -178.112 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.95 ' HA ' HD21 ' A' ' 95' ' ' LEU . 86.6 tttt -66.45 -36.65 83.31 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.005 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -75.35 -30.55 60.28 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.689 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -42.96 99.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 110.18 -178.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.517 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -64.29 -39.7 97.26 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.919 176.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -63.06 -42.47 99.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.717 0.294 . . . . 0.0 111.537 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.426 ' HB ' ' CD2' ' A' ' 39' ' ' LEU . 1.3 p -71.53 -41.21 69.45 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -175.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.629 HD12 ' HB2' ' A' ' 75' ' ' ALA . 32.0 mt -69.29 -31.35 69.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.766 0.317 . . . . 0.0 110.63 175.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -64.63 -48.93 73.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.415 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 63.51 19.22 62.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.208 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 66.24 18.43 10.93 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.115 0.566 . . . . 0.0 111.04 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -148.18 -41.62 0.04 OUTLIER Glycine 0 CA--C 1.523 0.537 0 C-N-CA 120.048 -1.072 . . . . 0.0 113.942 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -90.8 99.21 12.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.585 0.707 . . . . 0.0 110.891 -173.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -65.67 -29.91 70.53 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.84 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' A' ' 74' ' ' GLN . . . -67.0 -50.2 62.96 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 121.181 -0.208 . . . . 0.0 111.511 -175.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.44 -35.2 91.66 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.386 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.48 ' HB1' ' CZ3' ' A' ' 76' ' ' TRP . . . -60.73 -50.34 73.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.387 -0.406 . . . . 0.0 110.819 176.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -57.77 -49.22 77.32 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.757 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 70' ' ' ALA . 97.0 mt-30 -55.97 -45.9 78.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.77 -177.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.629 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -67.64 -47.57 69.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.033 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.517 ' NE1' ' HA3' ' A' ' 60' ' ' GLY . 24.5 m0 -67.41 -37.13 82.61 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -173.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -62.85 -39.6 94.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.022 0.439 . . . . 0.0 110.284 176.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -70.46 -44.86 66.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.348 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.53 -34.97 90.59 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.035 178.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.0 tp -62.98 -46.76 86.17 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.173 0.511 . . . . 0.0 110.1 179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.21 -33.34 74.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.197 177.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.13 -41.92 89.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.233 0.54 . . . . 0.0 109.856 175.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.97 -36.77 78.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.813 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -61.77 -46.05 91.25 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.316 174.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.6 t -59.31 -38.28 79.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.786 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.812 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 7.1 mmm180 -76.53 -15.69 59.81 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 177.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.61 24.18 67.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.939 -174.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.476 ' O ' HG23 ' A' ' 92' ' ' VAL . 3.9 m-20 -93.44 86.38 5.23 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.615 0.721 . . . . 0.0 110.645 -176.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -53.78 -40.2 66.06 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.238 -1.347 . . . . 0.0 112.834 -177.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -56.64 -43.84 80.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.321 . . . . 0.0 111.066 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.2 t -71.81 -37.82 63.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.981 0.42 . . . . 0.0 110.108 -178.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 88' ' ' ASP . 64.6 t -58.19 -47.5 87.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.325 177.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.577 ' O ' HG23 ' A' ' 97' ' ' VAL . 46.6 mtmt -62.8 -44.35 96.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.768 -178.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.86 -49.39 77.93 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.95 HD21 ' HA ' ' A' ' 57' ' ' LYS . 64.5 mt -69.62 -32.67 71.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.819 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -59.72 -39.9 86.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 93' ' ' LYS . 90.1 t -59.12 -38.38 73.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.489 -177.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -65.02 -41.13 95.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.197 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.19 -36.25 83.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.081 0.467 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -75.28 -47.84 26.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.286 0.565 . . . . 0.0 109.852 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.492 ' O ' ' HG2' ' A' ' 105' ' ' GLU . 51.7 ttt180 -59.1 -41.0 87.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.048 176.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 47.4 tp -58.11 -38.24 76.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.744 0.307 . . . . 0.0 110.716 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.78 -31.71 72.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.442 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.423 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 82.4 mtt180 -65.0 -47.54 77.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.987 0.422 . . . . 0.0 110.134 175.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' ' 101' ' ' ARG . 4.6 mm-40 -64.77 -44.28 90.54 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.08 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.413 ' OD2' ' HB3' ' A' ' 111' ' ' HIS . 19.9 t70 -60.49 -41.3 93.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.014 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.82 -29.96 71.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.469 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 105' ' ' GLU . 88.1 mt -59.11 -41.95 89.37 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.893 0.378 . . . . 0.0 110.499 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -85.83 10.54 13.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.894 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 57.19 34.89 25.49 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.51 178.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.413 ' HB3' ' OD2' ' A' ' 106' ' ' ASP . 12.2 t-80 -80.79 -62.07 1.78 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 68.91 92.11 0.09 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.163 0.506 . . . . 0.0 111.858 168.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -137.18 -34.35 0.72 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.819 174.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 64.07 16.88 10.28 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.013 0.525 . . . . 0.0 111.147 -178.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 . . . . . 0 C--O 1.243 0.722 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.5 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.476 ' HA ' ' CD ' ' A' ' 6' ' ' GLU . 50.3 ttm . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 121.048 0.452 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -143.16 152.64 42.02 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 170.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 71.2 164.51 0.28 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 122.082 0.944 . . . . 0.0 110.958 -177.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.52 HG22 ' HG ' ' A' ' 8' ' ' LEU . 74.9 mt -72.16 -22.36 20.97 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.582 -175.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.459 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 1.2 p -57.06 -51.4 69.44 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 -176.042 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.476 ' CD ' ' HA ' ' A' ' 1' ' ' MET . 45.8 mt-10 -63.7 -38.84 92.64 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -174.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -73.81 -32.16 63.6 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.784 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.52 ' HG ' HG22 ' A' ' 4' ' ' ILE . 32.9 mt -66.37 -35.42 80.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.764 176.013 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 5' ' ' THR . 7.7 mm-40 -52.33 -41.47 63.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.919 0.39 . . . . 0.0 110.627 176.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -71.35 -39.08 71.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.044 177.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 88.7 mtp -68.67 -41.48 79.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.687 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 12' ' ' LEU . 4.1 mm? -64.53 -29.22 70.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.891 0.377 . . . . 0.0 110.581 177.223 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.71 -7.16 54.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.325 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 77.6 mm-40 -89.93 -8.44 51.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.808 178.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.9 32.7 13.98 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.367 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -102.6 78.41 1.71 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.426 0.631 . . . . 0.0 109.917 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -76.95 125.92 30.12 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.437 -176.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.617 ' HB2' ' HB2' ' A' ' 21' ' ' LEU . 20.0 m120 -145.97 154.34 41.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.451 174.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -82.21 -45.39 15.13 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 176.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 99.1 mt -78.95 24.3 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 18' ' ' ASN . 26.4 tp -115.78 -29.7 6.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.51 175.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -77.48 -29.32 52.57 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.515 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -67.22 -32.49 73.57 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.846 -179.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 m -61.1 -41.36 96.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.098 176.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.32 -48.3 73.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.282 176.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.447 ' HA2' ' CD2' ' A' ' 29' ' ' TYR . . . -58.49 -47.26 90.91 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.599 -0.728 . . . . 0.0 113.302 -176.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 40.7 mtpt -58.45 -40.45 82.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.913 0.387 . . . . 0.0 110.726 178.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.2 m -67.26 -34.09 76.7 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.219 -176.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.447 ' CD2' ' HA2' ' A' ' 26' ' ' GLY . 26.7 m-85 -60.07 -46.35 89.85 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.956 0.408 . . . . 0.0 110.182 177.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.99 86.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.352 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -64.2 -22.71 67.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.503 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -102.48 14.95 30.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.139 -175.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 68.48 20.66 8.43 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.533 0.682 . . . . 0.0 110.775 175.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.483 ' HG3' ' HB3' ' A' ' 37' ' ' ALA . 44.6 tp60 -108.85 46.27 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.754 -177.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.412 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 70.4 m-85 -54.71 -35.6 63.82 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.427 -176.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -53.52 -49.1 68.29 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.375 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.483 ' HB3' ' HG3' ' A' ' 34' ' ' GLN . . . -74.99 -28.41 60.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.257 -177.221 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.53 91.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.325 -177.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.495 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 84.0 mt -53.54 -54.44 45.68 Favored Pre-proline 0 CA--C 1.543 0.683 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 -171.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.538 ' HG2' ' HD2' ' A' ' 41' ' ' HIS . 51.1 Cg_endo -71.68 -32.51 11.72 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 121.539 1.493 . . . . 0.0 112.682 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.538 ' HD2' ' HG2' ' A' ' 40' ' ' PRO . 12.4 m-70 -71.62 -36.21 70.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.744 -177.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.17 -39.95 95.09 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.336 174.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -59.87 -39.79 86.45 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.494 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.23 -37.76 72.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.575 -176.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.01 -48.65 43.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.892 0.377 . . . . 0.0 111.625 175.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 55' ' ' ALA . 90.5 mt -74.32 -26.65 60.29 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -173.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -62.93 -38.01 89.3 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.139 0.495 . . . . 0.0 109.756 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -83.28 -43.64 15.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.442 176.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -140.31 88.76 11.17 Favored Pre-proline 0 N--CA 1.464 0.252 0 CA-C-O 120.942 0.401 . . . . 0.0 110.922 -174.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -81.0 -1.51 11.25 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 123.078 2.519 . . . . 0.0 113.117 -175.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -17.99 50.41 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -173.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 11.1 t80 -77.93 96.32 5.0 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.952 0.406 . . . . 0.0 111.154 -175.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.652 ' HB3' HG21 ' A' ' 91' ' ' VAL . 14.8 m -56.23 -38.61 71.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.423 -177.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.57 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 21.5 t -57.35 -36.05 51.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 121.123 0.487 . . . . 0.0 110.949 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.489 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -68.55 -28.65 67.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.862 -176.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.525 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 11.3 m0 -63.19 -47.27 83.33 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.661 0.743 . . . . 0.0 109.046 178.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.658 ' HA ' HD21 ' A' ' 95' ' ' LEU . 30.8 ttpt -65.18 -34.82 79.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.834 178.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.414 ' HD1' HG12 ' A' ' 54' ' ' VAL . 20.1 m95 -65.67 -47.02 76.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.266 175.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.47 -48.35 77.29 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.415 -178.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.09 -41.08 99.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -71.39 -26.22 62.69 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.088 0.47 . . . . 0.0 110.602 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.406 HG23 ' HD1' ' A' ' 35' ' ' PHE . 65.0 m -71.8 -42.51 66.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.558 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.55 HD12 ' HB2' ' A' ' 75' ' ' ALA . 36.6 mt -67.2 -29.76 69.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.28 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.622 ' HA ' ' HB2' ' A' ' 72' ' ' ALA . 21.2 tp60 -56.45 -50.07 72.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.731 177.011 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.51 17.05 11.97 Favored Glycine 0 CA--C 1.521 0.406 0 CA-C-N 116.012 -0.54 . . . . 0.0 113.178 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.621 ' H ' ' HG3' ' A' ' 64' ' ' GLN . 49.9 tt0 65.94 13.98 9.34 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 122.943 0.497 . . . . 0.0 110.987 -178.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.89 -44.21 0.04 OUTLIER Glycine 0 CA--C 1.521 0.46 0 C-N-CA 119.944 -1.122 . . . . 0.0 114.191 -175.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -91.31 95.91 10.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.531 0.682 . . . . 0.0 110.513 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.7 ptp85 -65.86 -29.54 70.0 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.766 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.91 -50.3 56.96 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.424 -173.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.39 -39.14 91.58 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.694 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.622 ' HB2' ' HA ' ' A' ' 64' ' ' GLN . . . -62.06 -51.98 65.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.754 0.312 . . . . 0.0 110.842 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.491 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 69.8 ttt180 -59.67 -51.05 71.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.369 -178.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -57.2 -38.15 73.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.136 -177.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.55 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -67.13 -44.36 80.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.347 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.527 ' HB3' HD21 ' A' ' 99' ' ' LEU . 20.0 m0 -71.02 -39.85 72.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.282 -177.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 73' ' ' ARG . 12.3 mm-40 -60.11 -42.62 95.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.265 0.555 . . . . 0.0 109.769 178.132 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -74.13 -43.3 57.99 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.259 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.36 -24.56 73.63 Favored Glycine 0 C--N 1.331 0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.911 -177.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.4 tp -58.72 -43.55 90.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.112 0.482 . . . . 0.0 110.256 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.08 75.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.349 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.98 90.47 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 176.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.53 -42.49 91.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.659 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -58.23 -49.4 77.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.278 177.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.2 t -63.46 -38.16 90.09 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.283 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.502 ' HG3' ' CH2' ' A' ' 56' ' ' TRP . 10.3 mmm180 -76.24 -13.21 60.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.701 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.53 22.42 78.52 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.601 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 92' ' ' VAL . 13.2 t0 -89.78 82.23 6.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.65 0.738 . . . . 0.0 109.404 -176.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -64.14 -37.25 86.79 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.312 -175.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.59 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 46.4 tt0 -55.93 -47.62 77.19 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.515 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.652 HG21 ' HB3' ' A' ' 53' ' ' SER . 75.4 t -64.91 -37.16 79.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.688 -177.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 88' ' ' ASP . 64.2 t -57.54 -47.98 84.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.449 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.423 ' O ' HG23 ' A' ' 97' ' ' VAL . 53.5 mtmt -67.72 -40.68 84.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.422 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 88.8 mt-10 -61.34 -48.38 81.59 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.775 0.321 . . . . 0.0 110.96 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.658 HD21 ' HA ' ' A' ' 57' ' ' LYS . 59.2 mt -67.63 -34.49 77.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.603 178.473 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -56.78 -33.98 67.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.171 178.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 93' ' ' LYS . 93.1 t -59.7 -40.62 82.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.239 0.542 . . . . 0.0 110.241 179.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.41 ' HB3' ' CH2' ' A' ' 76' ' ' TRP . 98.4 m-85 -67.68 -36.42 80.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.835 178.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.527 HD21 ' HB3' ' A' ' 76' ' ' TRP . 4.0 mm? -62.18 -35.6 79.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.426 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -65.68 -44.84 85.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.503 0.668 . . . . 0.0 109.89 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 101' ' ' ARG . 22.6 ttt180 -63.7 -41.62 98.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.646 177.318 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -39.19 88.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.823 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.03 -31.6 68.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.889 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -69.16 -28.89 66.82 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.546 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -75.65 -41.44 54.07 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.063 0.458 . . . . 0.0 109.819 172.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.58 -44.33 76.81 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.928 174.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.06 -27.73 34.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.481 -1.236 . . . . 0.0 112.499 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 91.6 mt -68.0 -36.5 80.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.067 0.46 . . . . 0.0 110.544 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -96.53 -4.18 41.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.711 0.767 . . . . 0.0 110.57 -178.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -121.66 11.46 10.52 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.038 -173.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -68.88 -38.73 79.86 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.195 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -86.34 64.43 8.54 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 174.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -41.25 -43.23 2.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 113.285 -1.779 . . . . 0.0 112.567 -175.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 74.38 -46.4 0.61 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.127 0.571 . . . . 0.0 111.587 176.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 85.1 t60 . . . . . 0 C--O 1.244 0.788 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 175.315 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -78.51 177.0 8.88 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 174.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.527 ' HB3' ' HG3' ' A' ' 6' ' ' GLU . . . -100.76 127.28 47.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.275 0.56 . . . . 0.0 110.202 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.542 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 62.5 mt -60.11 -28.47 41.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.495 178.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.482 HG22 ' HA ' ' A' ' 25' ' ' LEU . 1.7 p -57.46 -37.16 72.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.475 178.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.527 ' HG3' ' HB3' ' A' ' 3' ' ' ALA . 39.2 mt-10 -56.3 -49.73 73.46 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 -177.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 4' ' ' ILE . 7.8 ptp180 -74.76 -32.87 62.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.191 -179.171 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.565 HD22 HD11 ' A' ' 21' ' ' LEU . 70.9 mt -67.19 -38.15 84.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.413 -178.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.82 -36.2 62.25 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.627 0.251 . . . . 0.0 111.348 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.32 -38.94 85.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.924 0.392 . . . . 0.0 110.773 177.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.5 ttm -68.68 -39.38 80.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.466 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.93 -37.17 78.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.694 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.05 -6.49 45.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.922 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -91.56 4.2 53.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.671 0.272 . . . . 0.0 110.813 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.49 37.16 11.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.77 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 m -132.24 93.99 3.37 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 -177.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.505 ' HB3' HH11 ' A' ' 22' ' ' ARG . 6.7 m-20 -93.7 -45.37 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.194 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 59.93 -159.24 0.31 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.152 -178.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 14.0 tpt -111.91 -59.2 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.085 0.469 . . . . 0.0 110.482 176.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 20' ' ' LEU . 2.2 tm? -67.32 -32.49 73.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.166 -176.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.565 HD11 HD22 ' A' ' 8' ' ' LEU . 45.8 tp -60.5 -59.83 4.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.448 -177.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.505 HH11 ' HB3' ' A' ' 17' ' ' ASP . 8.2 ptm180 -60.35 -28.01 67.83 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -176.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -69.67 -41.09 75.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.379 . . . . 0.0 110.67 176.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 95.2 m -57.82 -36.53 72.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.788 -176.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.482 ' HA ' HG22 ' A' ' 5' ' ' THR . 7.4 mp -65.44 -44.02 88.62 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.986 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.17 -47.94 88.42 Favored Glycine 0 C--O 1.228 -0.241 0 C-N-CA 120.861 -0.685 . . . . 0.0 113.092 -173.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -63.67 -35.95 82.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.891 0.376 . . . . 0.0 111.422 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.9 m -69.13 -36.4 77.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -68.34 -36.36 79.12 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.884 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.7 90.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 0.0 110.634 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.9 -22.4 65.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.616 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.91 18.59 7.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.897 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 67.55 23.89 8.79 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.374 0.607 . . . . 0.0 111.354 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -118.69 43.12 2.6 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 175.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -58.66 -32.11 68.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.195 -1.366 . . . . 0.0 112.286 -175.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -55.86 -48.08 76.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.223 0.535 . . . . 0.0 110.468 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.01 -27.9 61.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.948 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.08 87.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.632 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.6 mt -51.9 -54.42 40.64 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -174.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -65.12 -32.36 52.88 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 121.427 1.418 . . . . 0.0 112.343 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -72.18 -37.14 69.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.764 -178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.8 mt -71.0 -47.75 57.06 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 ttt85 -62.92 -31.59 72.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.581 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.04 -32.46 72.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.821 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.03 -46.91 64.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.919 0.39 . . . . 0.0 110.539 177.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' A' ' 55' ' ' ALA . 71.7 mt -65.29 -24.34 67.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.984 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -55.91 -41.62 74.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.127 0.489 . . . . 0.0 111.069 -179.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -81.59 -38.63 25.79 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.417 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -144.29 89.65 6.92 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.827 0.346 . . . . 0.0 110.619 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -69.22 -3.6 11.99 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 123.298 2.665 . . . . 0.0 113.375 -175.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.66 10.92 9.93 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -172.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.487 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 10.6 t80 -82.98 95.09 7.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.279 0.561 . . . . 0.0 110.365 -179.243 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.654 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 4.9 m -56.61 -33.36 66.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.08 -0.963 . . . . 0.0 112.965 -173.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.487 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 54.4 t -63.11 -36.49 76.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.013 0.435 . . . . 0.0 110.583 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.547 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -71.07 -28.77 64.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.589 -176.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.654 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 33.0 m0 -60.6 -48.38 82.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.214 0.531 . . . . 0.0 110.128 -178.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.569 ' HA ' HD21 ' A' ' 95' ' ' LEU . 38.5 ttpt -66.47 -34.94 79.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.787 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -66.13 -37.58 86.05 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.989 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 72.2 mt -56.62 -52.27 65.51 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.659 0.266 . . . . 0.0 111.481 -177.221 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.89 -39.1 97.61 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.16 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -59.01 -44.09 91.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.159 0.504 . . . . 0.0 110.963 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.3 m -70.5 -36.77 73.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.639 -177.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.36 -34.82 76.76 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.049 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -60.8 -48.61 81.04 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.204 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.97 -28.43 71.8 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.073 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -65.65 -38.05 88.26 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.145 0.497 . . . . 0.0 109.675 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.67 -10.82 4.6 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.325 -0.941 . . . . 0.0 113.577 173.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -90.27 98.61 11.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.613 0.721 . . . . 0.0 110.866 -174.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 69' ' ' ARG . 20.1 ttp180 -61.02 -43.82 98.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.743 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.497 ' O ' ' HG2' ' A' ' 74' ' ' GLN . . . -67.52 -49.22 64.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.197 -178.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.7 -43.2 96.49 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.636 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.87 -42.38 97.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.059 0.457 . . . . 0.0 110.387 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -63.02 -48.82 77.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.367 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 70' ' ' ALA . 12.8 mm-40 -65.23 -40.25 93.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.952 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.41 94.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.173 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.488 ' CH2' ' HB3' ' A' ' 98' ' ' PHE . 22.2 m0 -68.68 -36.89 79.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.417 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.42 -35.11 70.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.67 0.271 . . . . 0.0 111.287 177.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.9 m -70.24 -42.29 72.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.023 0.44 . . . . 0.0 109.842 176.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.37 -25.63 73.66 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.13 177.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.404 HD11 HG13 ' A' ' 92' ' ' VAL . 12.1 tp -62.57 -53.67 51.21 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.278 0.561 . . . . 0.0 110.081 178.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.75 -30.86 71.89 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.934 178.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.01 84.29 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.635 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -64.88 -42.25 94.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.513 177.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -58.76 -46.67 86.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.377 175.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 t -61.51 -38.96 89.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.158 178.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -79.66 -16.03 56.5 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 120.9 0.381 . . . . 0.0 111.771 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.97 13.26 72.28 Favored Glycine 0 CA--C 1.523 0.577 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.406 -177.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.403 ' O ' HG23 ' A' ' 92' ' ' VAL . 10.6 m-20 -84.32 79.29 9.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.322 0.582 . . . . 0.0 110.553 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -62.22 -36.18 81.16 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.745 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -56.1 -47.47 78.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.439 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.409 HG21 ' HB3' ' A' ' 53' ' ' SER . 53.3 t -65.79 -38.68 82.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.761 -177.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.449 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 90.1 t -58.39 -50.28 79.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.514 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -67.72 -35.36 78.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.343 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -58.86 -49.06 79.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.092 0.473 . . . . 0.0 110.6 173.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.569 HD21 ' HA ' ' A' ' 57' ' ' LYS . 98.7 mt -63.67 -32.82 74.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.405 -179.198 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 92' ' ' VAL . 30.0 mm-40 -56.87 -38.11 72.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.216 178.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.6 t -62.44 -44.85 99.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.32 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.488 ' HB3' ' CH2' ' A' ' 76' ' ' TRP . 89.1 m-85 -68.35 -38.0 81.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.213 -175.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.4 -32.44 68.62 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.953 0.406 . . . . 0.0 111.696 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -65.36 -44.9 86.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.087 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -55.35 -43.6 75.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.391 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 102' ' ' LEU . 12.4 mt -67.63 -31.65 71.8 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.251 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.08 -34.56 73.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.884 0.374 . . . . 0.0 110.443 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -73.21 -34.53 65.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.031 0.443 . . . . 0.0 110.317 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.68 -42.49 86.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.458 175.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 12.5 t70 -71.46 -35.06 70.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.961 -177.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.28 -52.44 62.0 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.561 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.3 mt -80.01 -51.28 9.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.425 -176.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 106' ' ' ASP . 51.8 mt-10 62.08 5.07 1.34 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.335 0.654 . . . . 0.0 112.694 -176.167 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -110.43 -15.83 13.83 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.396 0.617 . . . . 0.0 110.182 178.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -80.05 -22.84 41.87 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.281 177.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -105.73 2.44 27.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.799 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -137.2 87.78 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.576 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -153.19 -28.28 0.14 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.12 175.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.3 t60 . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.532 -0.747 . . . . 0.0 109.346 176.864 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.177 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -71.2 161.88 30.36 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.567 ' HB1' ' HG2' ' A' ' 6' ' ' GLU . . . -72.72 86.81 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.323 0.582 . . . . 0.0 111.091 -177.096 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.9 mt -66.85 -35.98 76.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.135 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.8 p -59.56 -43.28 93.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.718 -177.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.567 ' HG2' ' HB1' ' A' ' 3' ' ' ALA . 5.1 mm-40 -69.21 -39.85 78.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.133 -174.436 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -73.99 -32.2 63.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.5 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.526 ' HB3' HD11 ' A' ' 25' ' ' LEU . 75.2 mt -68.03 -47.14 69.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.729 0.299 . . . . 0.0 110.923 176.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.68 -32.75 73.88 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.356 0.598 . . . . 0.0 110.399 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.19 -28.27 67.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.511 178.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.3 ttp -58.25 -25.14 61.39 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.638 -175.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.582 ' HA ' ' O ' ' A' ' 16' ' ' THR . 60.6 mt -58.04 -35.71 71.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.955 0.407 . . . . 0.0 110.808 177.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.44 -6.05 52.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.647 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -86.92 2.74 48.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.976 0.417 . . . . 0.0 110.688 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.41 39.07 3.8 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.967 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.582 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 24.8 m -150.09 96.01 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -115.49 106.0 13.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.966 0.412 . . . . 0.0 111.328 -176.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -147.81 165.51 30.34 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 176.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.06 -24.07 28.28 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 171.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.421 ' HA ' HD22 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -75.54 67.15 2.02 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.997 -178.615 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.51 ' O ' HG22 ' A' ' 24' ' ' THR . 4.0 pp -175.63 -34.52 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.671 -1.15 . . . . 0.0 109.222 175.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.792 ' HA ' HD13 ' A' ' 25' ' ' LEU . 74.0 mtt180 -70.83 -13.6 62.1 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.758 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -62.75 -40.41 97.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.582 0.23 . . . . 0.0 110.687 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 21' ' ' LEU . 14.8 t -69.82 -34.07 73.18 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.792 HD13 ' HA ' ' A' ' 22' ' ' ARG . 7.2 mp -63.26 -50.25 70.9 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 176.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.435 ' HA2' ' HD2' ' A' ' 29' ' ' TYR . . . -60.45 -43.08 99.14 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.373 -178.087 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -63.19 -38.78 92.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.751 0.31 . . . . 0.0 110.259 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.0 m -68.4 -37.68 80.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.973 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.435 ' HD2' ' HA2' ' A' ' 26' ' ' GLY . 50.3 m-85 -59.59 -47.3 86.11 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 174.253 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.09 -45.18 93.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.966 -178.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.18 -22.63 66.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.39 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -91.12 7.14 42.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 69.44 15.76 8.31 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.856 0.862 . . . . 0.0 110.744 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -95.02 43.77 1.09 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -178.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.639 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 90.6 m-85 -55.09 -34.77 63.92 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.05 -177.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -53.01 -50.69 63.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.939 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.48 -28.87 56.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.273 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.12 -38.37 85.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.585 -177.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.45 ' HB3' ' HD3' ' A' ' 40' ' ' PRO . 1.6 tt -53.58 -54.81 41.71 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.233 -173.286 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' ' 39' ' ' LEU . 45.9 Cg_endo -71.24 -30.81 15.33 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.519 1.479 . . . . 0.0 112.491 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.55 -40.46 76.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.048 0.451 . . . . 0.0 110.158 -177.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.434 HD21 ' HA3' ' A' ' 26' ' ' GLY . 79.1 mt -71.97 -45.09 62.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.738 175.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -59.21 -38.34 79.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.177 -177.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.9 -43.64 98.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.765 0.317 . . . . 0.0 110.994 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.49 -42.55 74.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.02 0.438 . . . . 0.0 110.697 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 55' ' ' ALA . 83.5 mt -64.96 -25.03 67.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.339 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.77 -33.73 76.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.916 0.388 . . . . 0.0 110.237 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -78.11 -44.12 27.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.63 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -146.83 88.07 6.09 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 121.148 0.499 . . . . 0.0 110.175 -177.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.88 -2.79 10.85 Favored 'Trans proline' 0 N--CA 1.469 0.063 0 C-N-CA 123.141 2.561 . . . . 0.0 113.488 -174.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.61 -1.64 14.31 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -173.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -78.52 88.98 4.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.481 0.658 . . . . 0.0 110.775 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.882 ' HB2' HG21 ' A' ' 91' ' ' VAL . 9.8 p -55.98 -36.73 68.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.857 -1.065 . . . . 0.0 113.172 -175.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.1 t -57.08 -36.54 51.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.071 0.462 . . . . 0.0 111.06 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.463 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -70.95 -28.63 64.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.812 -176.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.652 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 19.5 m0 -63.51 -47.29 82.29 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.55 0.69 . . . . 0.0 110.036 -178.35 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.55 ' HA ' HD21 ' A' ' 95' ' ' LEU . 21.5 tttt -62.26 -40.84 97.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.629 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -75.4 -28.54 59.48 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.411 ' O ' ' HB ' ' A' ' 62' ' ' THR . 6.7 tt -58.17 -41.65 84.29 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.424 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -60.65 -44.04 98.32 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.225 176.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -66.9 -24.69 66.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.719 0.295 . . . . 0.0 110.896 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.639 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 72.6 m -63.35 -49.52 73.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.345 178.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.41 -38.54 87.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.759 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 17.6 tm0? -60.18 -50.11 74.95 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.329 -178.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.34 -22.31 76.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.562 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.5 tm0? -69.27 -28.88 66.69 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 120.91 8.5 8.02 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.98 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -113.57 93.08 4.22 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.469 ' HD3' ' CB ' ' A' ' 105' ' ' GLU . 28.0 ttm-85 -66.25 -38.57 88.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.78 -177.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.83 84.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.389 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.39 -28.92 73.71 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.66 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.34 -50.73 62.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.664 0.269 . . . . 0.0 111.102 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 50.0 ptt85 -67.3 -41.98 84.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.478 -176.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -64.65 -33.62 76.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.935 0.398 . . . . 0.0 110.464 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.86 99.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.601 178.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.518 ' CD1' HD22 ' A' ' 95' ' ' LEU . 12.1 m0 -71.08 -37.05 72.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.859 178.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.97 -40.3 92.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.873 0.368 . . . . 0.0 110.338 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.2 t -73.6 -41.61 62.62 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.552 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.95 -28.41 73.63 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 121.273 -0.489 . . . . 0.0 112.895 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.441 HD11 HG13 ' A' ' 92' ' ' VAL . 12.5 tp -59.42 -49.16 78.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.076 0.465 . . . . 0.0 110.155 178.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.12 71.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.599 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.34 96.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.022 0.439 . . . . 0.0 110.104 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.27 -41.16 73.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.49 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -58.27 -41.85 85.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.972 176.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.0 m -56.22 -39.58 72.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.107 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.8 mmt-85 -90.22 -13.46 35.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.885 0.374 . . . . 0.0 111.785 178.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.73 38.13 57.03 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.647 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.501 ' O ' HG23 ' A' ' 92' ' ' VAL . 10.2 t0 -92.39 88.24 6.32 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.512 0.672 . . . . 0.0 109.206 -179.238 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -60.31 -35.67 76.13 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.282 -176.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -56.82 -48.25 78.42 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.789 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.882 HG21 ' HB2' ' A' ' 53' ' ' SER . 98.0 t -70.58 -37.66 70.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.709 -177.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 88' ' ' ASP . 91.2 t -58.17 -51.06 75.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.307 177.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -61.81 -39.65 92.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.336 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -58.65 -49.41 77.62 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.16 0.505 . . . . 0.0 111.224 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' A' ' 57' ' ' LYS . 90.7 mt -67.86 -32.33 72.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.224 -177.243 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' ' 92' ' ' VAL . 19.5 mm-40 -56.8 -37.37 71.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.826 176.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.72 -41.83 85.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 121.034 0.445 . . . . 0.0 110.508 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -65.48 -32.86 74.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.351 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.47 -35.61 79.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.063 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 27.1 mtt180 -71.45 -44.82 64.09 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.903 0.858 . . . . 0.0 109.076 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -56.49 -47.99 78.08 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 113.654 -1.612 . . . . 0.0 110.752 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.99 -42.69 76.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.442 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.78 -37.83 74.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.507 -177.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.419 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 82.6 mtt180 -61.71 -33.77 74.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.16 177.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.469 ' CB ' ' HD3' ' A' ' 69' ' ' ARG . 54.9 mt-10 -75.34 -47.26 28.5 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 120.68 0.276 . . . . 0.0 111.129 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -67.23 -37.0 82.84 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.102 0.477 . . . . 0.0 110.396 -176.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.59 -27.69 62.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.39 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 104' ' ' ARG . 97.3 mt -75.83 -34.52 60.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 0.0 110.906 178.087 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -88.02 -19.04 27.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.437 0.637 . . . . 0.0 111.205 -174.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -121.51 22.43 10.67 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.68 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -58.68 -65.64 0.62 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.915 -174.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -116.11 59.59 0.73 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.045 0.45 . . . . 0.0 110.632 -176.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -84.11 117.75 23.66 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -79.16 131.83 36.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.978 0.418 . . . . 0.0 110.721 -178.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 28.7 m170 . . . . . 0 C--O 1.248 1.015 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.152 -176.055 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.67 0.272 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -82.49 170.89 14.73 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.14 174.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.438 ' HB3' ' HG2' ' A' ' 6' ' ' GLU . . . -150.31 143.64 25.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.023 0.439 . . . . 0.0 111.024 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.469 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 81.4 mt -59.78 -39.82 80.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.841 176.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.484 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 17.8 p -61.53 -49.55 76.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.153 -176.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.438 ' HG2' ' HB3' ' A' ' 3' ' ' ALA . 11.0 pt-20 -65.44 -37.93 88.37 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -175.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 4' ' ' ILE . 8.2 ppt_? -72.11 -31.0 65.64 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.61 -0.436 . . . . 0.0 109.933 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.571 ' HB3' HD11 ' A' ' 25' ' ' LEU . 63.0 mt -64.43 -45.26 88.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.199 171.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 5' ' ' THR . 43.5 mt-10 -59.96 -36.08 76.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.693 177.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.39 72.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.28 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 86.0 mtp -60.86 -33.27 72.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.892 0.377 . . . . 0.0 110.558 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.48 -30.66 61.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.951 0.405 . . . . 0.0 110.174 176.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.13 -37.4 69.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.052 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -77.46 -8.43 57.75 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.411 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.23 21.48 29.78 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.762 -0.732 . . . . 0.0 113.552 173.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 m -96.58 45.83 1.06 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.585 0.707 . . . . 0.0 110.088 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -73.42 143.05 46.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.835 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.468 ' O ' ' HB2' ' A' ' 19' ' ' MET . 21.3 m-80 -147.06 -13.97 0.41 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.0 -175.112 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.468 ' HB2' ' O ' ' A' ' 18' ' ' ASN . 72.6 mmm 73.68 -50.0 0.69 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.966 -173.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.91 60.25 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.689 . . . . 0.0 110.15 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -160.69 -48.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.411 -177.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.913 ' HA ' HD13 ' A' ' 25' ' ' LEU . 4.2 ptp85 -69.95 -10.07 57.29 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -69.54 -31.86 70.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.092 0.472 . . . . 0.0 110.74 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.5 m -66.45 -34.0 76.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.158 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.913 HD13 ' HA ' ' A' ' 22' ' ' ARG . 8.3 mp -56.75 -45.82 81.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.029 -178.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.477 ' HA3' HD21 ' A' ' 42' ' ' LEU . . . -64.2 -33.13 86.42 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.375 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.97 -46.78 89.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.42 0.153 . . . . 0.0 111.147 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.8 m -57.81 -42.04 83.43 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.451 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -62.9 -42.88 99.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.949 0.404 . . . . 0.0 110.122 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.51 -37.71 80.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.134 -177.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -71.11 -22.44 62.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.185 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -88.59 7.72 31.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.615 175.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 63.64 20.87 12.46 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.718 -178.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -108.0 71.94 0.83 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.511 ' HB2' ' HB2' ' A' ' 66' ' ' GLN . 83.2 m-85 -67.48 -34.44 77.17 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.644 -177.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.48 -37.73 65.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.018 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.15 -27.87 61.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.166 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.6 -37.54 73.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.414 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.417 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 7.6 mp -49.7 -54.45 31.39 Favored Pre-proline 0 N--CA 1.472 0.671 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -173.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 18.7 Cg_endo -61.7 -40.43 45.93 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 121.811 1.674 . . . . 0.0 112.842 -176.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -72.09 -41.69 67.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.898 -177.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.477 HD21 ' HA3' ' A' ' 26' ' ' GLY . 89.3 mt -67.0 -42.09 85.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.684 179.457 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -67.28 -31.28 71.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.299 -178.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.35 96.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.477 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.405 ' HB2' ' HD3' ' A' ' 22' ' ' ARG . . . -65.45 -37.48 87.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.645 178.102 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.445 HD11 HD21 ' A' ' 59' ' ' LEU . 96.4 mt -64.85 -25.09 67.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.177 178.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -71.12 -37.32 72.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.312 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -78.73 -43.8 24.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.104 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -145.06 88.76 6.69 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-O 121.07 0.462 . . . . 0.0 110.717 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -68.23 -3.93 11.75 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 123.042 2.494 . . . . 0.0 112.4 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.37 6.59 44.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.929 -177.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.493 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 12.4 t80 -72.82 93.62 1.71 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.33 -179.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.607 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 28.3 p -59.58 -34.5 72.8 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.51 -174.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.493 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 85.3 t -62.59 -36.6 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.004 0.431 . . . . 0.0 110.587 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.574 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -70.51 -32.33 69.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.024 -177.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.607 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 39.0 m0 -57.33 -47.38 81.72 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.167 0.508 . . . . 0.0 109.817 179.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.905 ' HA ' HD21 ' A' ' 95' ' ' LEU . 35.2 ttpt -66.15 -37.0 84.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.385 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -67.92 -34.33 76.42 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 88.8 mt -56.39 -52.27 65.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.584 0.23 . . . . 0.0 111.521 -177.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.425 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -61.11 -42.42 99.78 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.279 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -59.33 -45.54 91.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.955 0.407 . . . . 0.0 111.094 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.3 m -64.29 -49.12 73.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.657 -175.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 59' ' ' LEU . 3.9 mm? -61.33 -46.0 92.07 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.223 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -62.68 -40.45 97.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.542 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.76 -42.16 98.66 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.355 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.511 ' HB2' ' HB2' ' A' ' 35' ' ' PHE . 56.3 tp60 -66.93 -38.14 85.62 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.977 0.418 . . . . 0.0 110.474 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.83 18.16 2.19 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.972 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -107.98 86.69 2.34 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 69' ' ' ARG . 27.1 ttp85 -65.4 -34.98 79.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.984 -177.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.36 -46.78 72.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.567 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.94 -36.62 93.29 Favored Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.804 177.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.49 -50.32 74.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.615 0.245 . . . . 0.0 110.427 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -59.87 -43.62 94.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.447 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -56.84 -45.61 82.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.085 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.08 -40.39 86.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.556 ' CD1' HD22 ' A' ' 95' ' ' LEU . 12.7 m0 -64.82 -48.37 74.62 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.674 -179.118 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.19 -38.53 90.76 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.93 0.395 . . . . 0.0 110.789 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 t -65.66 -47.9 73.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.222 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.64 -27.89 72.84 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.14 -0.553 . . . . 0.0 112.38 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 76' ' ' TRP . 9.0 tp -64.28 -53.94 41.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 0.0 110.187 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.2 -30.86 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.519 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 86' ' ' ARG . . . -64.94 -44.5 89.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.036 0.446 . . . . 0.0 109.811 176.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.423 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -69.66 -38.13 76.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.767 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.481 ' OE1' HG21 ' A' ' 92' ' ' VAL . 14.5 mm100 -60.88 -44.6 96.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 110.762 175.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.6 t -66.43 -34.77 78.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.557 177.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 82' ' ' ALA . 1.8 tmt_? -75.57 -14.17 60.38 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 122.942 0.497 . . . . 0.0 111.108 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.32 28.27 64.24 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.115 -177.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -105.7 87.86 2.69 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.357 0.599 . . . . 0.0 109.476 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -64.35 -36.4 84.02 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.192 -178.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.65 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 35.5 tt0 -56.54 -48.22 77.76 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 -178.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.88 -39.04 83.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 120.958 0.409 . . . . 0.0 110.653 -176.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.481 HG21 ' OE1' ' A' ' 84' ' ' GLN . 66.2 t -59.27 -51.44 72.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.55 177.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -67.66 -30.17 69.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.728 -177.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.65 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 42.2 mt-10 -64.96 -49.6 69.68 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.899 0.381 . . . . 0.0 110.3 175.13 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.905 HD21 ' HA ' ' A' ' 57' ' ' LYS . 67.6 mt -66.67 -31.64 72.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.132 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.546 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 35.0 tt0 -56.55 -36.41 69.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.993 177.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.19 -40.88 84.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 110.282 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.408 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 97.3 m-85 -66.82 -37.06 83.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.724 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.63 -33.05 75.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.246 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 32.1 mtm-85 -69.12 -47.09 66.03 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.404 0.621 . . . . 0.0 110.065 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -61.67 -41.03 97.0 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.063 175.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.9 tp -58.53 -34.35 70.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.124 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.96 -36.55 83.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -68.23 -40.71 81.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.974 177.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.29 -40.79 90.27 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.286 177.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -56.8 -44.7 82.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.947 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.75 -29.15 62.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.914 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.75 -22.24 66.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.651 0.262 . . . . 0.0 111.371 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -116.93 11.02 14.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.053 0.454 . . . . 0.0 109.94 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -124.12 -7.73 7.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.581 -172.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -83.26 -15.7 49.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.648 -170.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -114.46 -55.02 2.53 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.862 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 60.83 73.57 0.48 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.415 0.626 . . . . 0.0 110.257 -176.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -138.98 140.29 38.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.535 -178.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.2 p80 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.521 -0.752 . . . . 0.0 109.747 178.957 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.59 ' HG3' ' OE2' ' A' ' 6' ' ' GLU . 50.1 ttm . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 121.019 0.438 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -129.67 150.31 51.04 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 174.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 71.63 96.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.998 0.811 . . . . 0.0 109.661 -170.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.555 HG22 ' HG ' ' A' ' 8' ' ' LEU . 38.0 mm -56.37 -13.62 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 114.39 -1.277 . . . . 0.0 112.916 -173.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.9 t -55.86 -32.52 63.71 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -173.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.59 ' OE2' ' HG3' ' A' ' 1' ' ' MET . 0.1 OUTLIER -72.4 -40.52 67.15 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 118.632 0.651 . . . . 0.0 111.031 -175.605 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -73.5 -31.02 63.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 0.0 110.238 177.878 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.555 ' HG ' HG22 ' A' ' 4' ' ' ILE . 98.9 mt -63.64 -43.98 95.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.128 0.49 . . . . 0.0 109.734 172.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -62.49 -32.09 72.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.444 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -61.33 -43.18 99.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.993 177.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.7 mtm -64.9 -36.3 83.93 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.209 0.528 . . . . 0.0 110.081 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.24 -40.47 90.36 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 176.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.31 -7.9 50.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.775 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 82.5 mm-40 -97.02 8.39 44.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.986 0.422 . . . . 0.0 110.139 176.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.39 25.21 48.4 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.275 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.0 m -104.12 80.93 1.78 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.336 0.589 . . . . 0.0 109.989 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -91.38 105.58 17.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.224 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.492 ' HB2' ' HB2' ' A' ' 21' ' ' LEU . 7.4 m120 -117.45 148.26 41.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.342 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 15.5 tpt -64.74 -41.44 95.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.928 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.26 20.22 2.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.797 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.492 ' HB2' ' HB2' ' A' ' 18' ' ' ASN . 47.9 tp -113.49 -52.43 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.878 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -53.27 -41.25 65.36 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.116 0.484 . . . . 0.0 110.826 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -68.24 -40.34 82.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.832 -178.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.3 m -64.4 -36.59 84.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.431 -177.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 mp -60.88 -44.93 96.4 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.817 0.341 . . . . 0.0 110.197 175.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.25 -43.92 98.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.098 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HE3' ' NE1' ' A' ' 58' ' ' TRP . 12.1 mmmm -56.94 -45.41 82.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.007 0.432 . . . . 0.0 110.912 178.007 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.8 m -69.25 -41.01 77.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.451 -175.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -66.58 -41.77 88.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.928 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.6 90.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.326 . . . . 0.0 110.92 -176.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -58.16 -32.15 67.93 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.143 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -100.04 22.26 11.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.174 -176.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 75.17 9.77 3.79 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.299 0.571 . . . . 0.0 111.593 171.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.516 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 5.9 tp60 -91.86 48.46 1.44 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.612 0.72 . . . . 0.0 109.122 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -50.49 -34.37 24.79 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.437 -175.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -52.2 -48.93 64.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.04 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.19 -27.14 59.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.462 -175.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.81 -38.87 73.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.65 -177.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.419 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 5.3 mp -52.44 -54.38 42.93 Favored Pre-proline 0 N--CA 1.47 0.572 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -173.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 25.2 Cg_endo -64.27 -33.81 58.18 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 121.697 1.598 . . . . 0.0 112.477 -178.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -71.75 -46.35 58.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.43 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.36 -36.29 78.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.715 0.293 . . . . 0.0 110.839 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -63.42 -42.17 98.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.116 178.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.25 -43.32 91.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.755 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.66 -44.62 96.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 111.207 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.421 HD21 ' HB3' ' A' ' 55' ' ' ALA . 43.7 mt -67.42 -25.88 66.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.329 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.24 -40.34 74.51 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.119 0.485 . . . . 0.0 109.898 176.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -74.11 -44.44 53.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.104 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -151.05 88.73 4.41 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-O 121.024 0.44 . . . . 0.0 111.034 -175.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -68.2 -3.41 10.73 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 123.442 2.761 . . . . 0.0 113.66 -175.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 t -79.73 -7.94 58.93 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -174.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -75.51 96.46 3.49 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.034 0.445 . . . . 0.0 111.423 -178.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.656 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 10.9 p -60.1 -31.41 70.02 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.992 -179.049 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.6 t -57.69 -36.59 55.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.373 177.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.421 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -69.78 -40.4 76.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.511 -178.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.656 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 3.5 m0 -60.98 -47.79 84.81 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.773 0.797 . . . . 0.0 109.505 -179.085 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.964 ' HA ' HD21 ' A' ' 95' ' ' LEU . 72.0 tttt -65.47 -42.55 92.16 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.507 -1.224 . . . . 0.0 111.921 -176.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.402 ' NE1' ' HE3' ' A' ' 27' ' ' LYS . 42.5 m95 -74.32 -33.98 63.34 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.404 HD13 HD23 ' A' ' 63' ' ' LEU . 1.4 tm? -60.9 -44.13 97.57 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.438 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.471 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -61.85 -43.94 98.53 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.39 176.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -58.15 -41.18 83.21 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.003 0.43 . . . . 0.0 110.721 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.1 m -62.49 -49.23 76.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.322 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.404 HD23 HD13 ' A' ' 59' ' ' LEU . 3.6 mm? -68.22 -34.52 76.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.596 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -67.18 -38.52 85.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.969 0.414 . . . . 0.0 110.163 176.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.91 -26.91 71.55 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.558 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -84.06 -28.51 27.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.948 0.404 . . . . 0.0 110.217 177.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.26 44.29 4.73 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.355 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -112.72 103.56 11.59 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -57.67 -49.72 75.56 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.944 -174.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.77 -47.76 65.4 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -177.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.8 -40.93 97.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.873 -176.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.22 -47.43 70.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.863 0.363 . . . . 0.0 110.59 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -62.36 -38.34 89.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.005 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -56.96 -45.92 82.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.344 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.65 -43.38 80.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.645 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.55 ' CD1' HD22 ' A' ' 95' ' ' LEU . 11.6 m0 -66.38 -48.75 69.13 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -64.17 -35.33 80.43 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.925 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.6 m -70.8 -43.3 68.96 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 177.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.45 -30.63 62.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.387 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.58 -49.0 76.99 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.17 -34.08 74.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.064 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.84 96.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.01 0.433 . . . . 0.0 109.878 176.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.43 -38.37 84.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.632 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -58.11 -51.16 70.86 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.155 174.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.9 m -57.45 -39.17 75.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.497 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -79.23 -12.55 59.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.655 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.07 29.51 72.28 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.039 -176.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.457 ' O ' HG23 ' A' ' 92' ' ' VAL . 8.4 t70 -99.04 83.84 2.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.396 0.617 . . . . 0.0 109.859 -177.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -63.48 -30.88 71.93 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.12 -0.946 . . . . 0.0 112.32 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -57.54 -48.22 79.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.402 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.476 HG21 ' HB2' ' A' ' 53' ' ' SER . 74.1 t -68.29 -38.09 78.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.77 0.319 . . . . 0.0 110.774 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 88' ' ' ASP . 97.0 t -57.96 -48.76 83.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.226 178.155 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.481 ' O ' HG23 ' A' ' 97' ' ' VAL . 59.5 mtmt -67.7 -32.12 72.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.892 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -63.49 -50.66 68.78 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 121.077 0.465 . . . . 0.0 111.129 175.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.964 HD21 ' HA ' ' A' ' 57' ' ' LYS . 69.3 mt -69.49 -32.09 70.76 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.83 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.531 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 36.1 tt0 -56.97 -37.94 72.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.022 177.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 93' ' ' LYS . 91.5 t -60.96 -44.82 98.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 121.004 0.43 . . . . 0.0 110.625 177.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.406 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 66.8 m-85 -67.28 -31.01 71.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.991 -179.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' A' ' 76' ' ' TRP . 93.4 mt -63.58 -38.17 90.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.64 177.208 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 21.2 mmt180 -64.85 -49.63 69.83 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 121.816 0.817 . . . . 0.0 109.628 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -56.59 -41.43 76.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.196 -1.366 . . . . 0.0 111.103 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.507 ' HG ' ' HZ3' ' A' ' 76' ' ' TRP . 3.2 tm? -60.86 -43.72 97.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.367 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.04 -32.6 73.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.354 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 73.6 mtt-85 -70.93 -39.96 72.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.669 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -65.91 -39.42 90.57 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.09 175.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.27 -49.02 75.42 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.654 174.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 111' ' ' HIS . . . -55.78 -28.48 56.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.183 -177.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.9 mt -62.61 -19.74 64.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.698 0.285 . . . . 0.0 111.575 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -126.48 12.11 7.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.98 0.419 . . . . 0.0 110.115 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -137.78 10.66 2.89 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.558 -170.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 107' ' ' ALA . 2.0 t60 -76.47 -63.5 1.32 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.218 -173.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -110.25 8.26 23.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.217 0.532 . . . . 0.0 110.361 -178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.93 104.8 12.53 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 173.234 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -94.93 -4.36 46.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.145 0.498 . . . . 0.0 110.45 -173.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 . . . . . 0 C--O 1.249 1.064 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.841 177.468 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.4 mtm . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 121.025 0.44 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -97.45 144.95 26.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.749 177.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.18 169.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 122.128 0.966 . . . . 0.0 111.707 -177.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.472 ' O ' HD23 ' A' ' 8' ' ' LEU . 65.8 mt -64.81 -23.26 33.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.236 175.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.504 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 17.6 m -60.51 -52.74 63.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.429 -176.16 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -69.17 -38.13 78.56 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -172.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -64.92 -37.26 87.06 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.385 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.533 ' HA ' ' HG2' ' A' ' 11' ' ' MET . 3.8 mm? -67.26 -41.75 85.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.028 176.508 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 5' ' ' THR . 51.5 mm-40 -56.37 -44.63 80.36 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.892 0.377 . . . . 0.0 110.772 177.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.58 -48.87 65.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.45 -178.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.533 ' HG2' ' HA ' ' A' ' 8' ' ' LEU . 26.7 ptm -69.93 -32.17 70.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.582 0.23 . . . . 0.0 111.185 -174.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.38 -44.73 96.66 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 177.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.71 -21.98 64.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.427 -178.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -78.53 -9.52 59.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.899 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.97 26.66 5.43 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.726 -0.749 . . . . 0.0 113.053 177.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.5 m -108.96 79.56 1.23 Allowed 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.144 0.497 . . . . 0.0 110.819 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -91.09 92.05 8.54 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.443 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 15.4 t-20 -85.5 170.38 12.7 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.506 -174.3 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.9 ttt -76.1 -50.93 13.34 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.371 -176.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.554 HD23 ' H ' ' A' ' 20' ' ' LEU . 2.6 pt? -85.04 15.3 4.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.747 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.701 ' HB3' HH11 ' A' ' 22' ' ' ARG . 0.3 OUTLIER -56.24 -42.14 76.87 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.932 -179.614 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.701 HH11 ' HB3' ' A' ' 21' ' ' LEU . 4.6 mpt_? -69.63 -40.45 76.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.547 -177.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -69.92 -42.43 73.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.312 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 t -64.29 -34.59 78.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.184 -175.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.2 mt -71.82 -36.65 70.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.945 0.402 . . . . 0.0 110.475 175.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.477 ' HA2' ' HD2' ' A' ' 29' ' ' TYR . . . -60.88 -28.37 68.38 Favored Glycine 0 C--N 1.332 0.354 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.528 179.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.456 ' HE2' ' CZ2' ' A' ' 58' ' ' TRP . 16.2 mmtp -56.14 -49.86 72.74 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.765 0.317 . . . . 0.0 111.056 177.08 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.5 m -67.69 -33.72 75.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.242 -176.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.477 ' HD2' ' HA2' ' A' ' 26' ' ' GLY . 48.8 m-85 -66.89 -46.35 75.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.748 0.308 . . . . 0.0 110.18 176.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.79 -41.87 74.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.217 -175.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -68.46 -22.58 64.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.07 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -96.51 18.07 14.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 110.968 175.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 68.68 15.4 9.05 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.824 172.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -97.93 71.11 2.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.376 0.608 . . . . 0.0 109.91 175.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 93.2 m-85 -67.33 -30.72 70.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.514 179.045 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -56.82 -48.42 78.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.586 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.64 -32.1 62.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.366 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.47 -38.69 71.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.839 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.446 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 1.8 tt -51.81 -53.76 47.52 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -172.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 18.8 Cg_endo -59.71 -33.69 96.38 Favored 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 122.106 1.871 . . . . 0.0 112.734 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -71.56 -44.41 64.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.638 0.256 . . . . 0.0 110.718 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.65 -38.99 88.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.727 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 43' ' ' ARG . 32.3 ttt85 -61.98 -42.76 99.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.711 0.291 . . . . 0.0 110.603 177.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.47 -34.95 77.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.883 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.92 -47.53 62.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.011 177.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.0 mt -65.38 -29.05 69.73 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 111.892 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.2 -45.53 92.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.263 0.554 . . . . 0.0 110.298 176.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -83.31 -39.1 21.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.252 -177.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -120.0 86.54 37.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.938 0.399 . . . . 0.0 111.262 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.65 -4.24 14.97 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.924 2.416 . . . . 0.0 111.905 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.62 5.86 43.98 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -177.394 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.599 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 10.0 t80 -88.12 86.76 7.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.021 0.439 . . . . 0.0 110.059 179.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.591 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 3.8 m -48.71 -42.05 33.8 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.268 -178.306 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.599 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 38.2 t -58.8 -35.93 58.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.137 -178.37 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.9 -31.2 64.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.504 -176.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.591 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 6.9 m0 -61.88 -47.96 82.67 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 176.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.616 ' HE3' ' HB3' ' A' ' 94' ' ' GLU . 29.9 tttm -66.12 -36.86 84.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.553 -177.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.456 ' CZ2' ' HE2' ' A' ' 27' ' ' LYS . 23.0 m95 -74.85 -31.38 61.62 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 178.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -60.33 -45.25 94.1 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.65 -41.06 99.87 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.995 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -62.62 -36.19 81.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.844 0.354 . . . . 0.0 111.311 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.414 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 58.4 m -64.95 -42.37 94.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.604 179.019 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.27 -32.62 71.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.481 178.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -59.17 -49.38 78.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.383 175.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.45 -27.06 68.48 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.537 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -71.61 -16.6 62.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.075 0.465 . . . . 0.0 110.455 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.61 22.98 48.66 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.455 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -109.69 89.29 2.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -66.37 -31.37 72.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.17 -176.921 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.01 -49.53 60.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.321 . . . . 0.0 110.786 -178.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.4 -40.72 96.44 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.865 178.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.14 -41.95 85.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.893 0.378 . . . . 0.0 110.707 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -55.67 -51.9 65.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.274 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -70.62 -36.56 73.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.461 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.38 -40.68 89.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.611 -177.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.535 ' CD1' HD22 ' A' ' 95' ' ' LEU . 12.0 m0 -66.68 -35.66 80.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.922 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 73' ' ' ARG . 35.8 mt-10 -60.01 -40.51 89.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.051 0.453 . . . . 0.0 110.178 174.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.1 t -71.77 -37.45 70.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.125 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.09 -39.86 94.84 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.201 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.5 -47.86 84.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.33 0.11 . . . . 0.0 110.913 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.49 -32.6 74.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.697 0.284 . . . . 0.0 111.075 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.414 ' O ' ' HD2' ' A' ' 86' ' ' ARG . . . -66.97 -45.31 78.09 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.56 -39.49 84.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.803 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -61.4 -44.63 96.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.127 176.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.2 t -64.32 -38.98 92.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.642 178.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.414 ' HD2' ' O ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -76.05 -14.0 60.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.63 0.252 . . . . 0.0 111.469 177.308 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.54 18.28 79.87 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.445 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 92' ' ' VAL . 9.1 t0 -85.73 90.14 7.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.718 0.771 . . . . 0.0 109.767 -176.129 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -60.49 -41.54 94.46 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.331 -1.304 . . . . 0.0 112.108 -178.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.5 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 40.8 tt0 -56.69 -47.82 79.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.369 -177.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 68.9 t -66.6 -37.89 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.656 -174.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 88' ' ' ASP . 67.0 t -58.88 -45.45 91.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.187 177.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.452 ' O ' HG23 ' A' ' 97' ' ' VAL . 55.9 mtmt -67.53 -41.92 83.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.968 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.616 ' HB3' ' HE3' ' A' ' 57' ' ' LYS . 30.2 mt-10 -62.6 -49.05 76.74 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.784 0.326 . . . . 0.0 111.313 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.611 HD21 ' HA ' ' A' ' 57' ' ' LYS . 51.0 mt -66.78 -32.84 74.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.035 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.502 ' HA ' HD12 ' A' ' 99' ' ' LEU . 36.3 tt0 -61.66 -30.69 70.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.684 179.261 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 93' ' ' LYS . 99.1 t -62.0 -41.66 91.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.569 177.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.431 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 45.5 m-85 -67.15 -34.76 78.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.685 -179.064 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 96' ' ' GLN . 97.5 mt -58.45 -37.24 75.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.231 179.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.455 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 16.0 mtt-85 -64.51 -45.27 87.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 109.831 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -66.18 -38.72 88.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.855 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.86 -43.21 93.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.441 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.83 -32.34 71.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.649 -178.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 98.2 mtt180 -59.37 -40.27 85.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.745 0.307 . . . . 0.0 111.026 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -69.36 -42.78 74.77 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.769 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.09 -46.6 86.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.283 0.563 . . . . 0.0 110.526 178.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.81 -28.07 33.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.736 -1.12 . . . . 0.0 112.104 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 94.9 mt -55.47 -44.38 76.39 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.737 0.303 . . . . 0.0 111.211 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -101.65 -1.6 32.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.548 0.69 . . . . 0.0 110.409 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -103.26 9.19 38.23 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.856 -179.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -62.36 -31.32 71.95 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.127 177.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -72.76 -56.39 5.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.967 -176.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 10.2 t60 54.99 67.72 0.97 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.382 177.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -83.14 -34.68 25.99 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 170.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 9.9 m170 . . . . . 0 C--O 1.247 0.947 0 CA-C-N 114.321 -1.309 . . . . 0.0 108.343 170.783 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.469 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 51.1 mm . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.731 0.3 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.447 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 11.6 p -59.07 -46.3 88.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.336 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -60.8 -44.44 96.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.998 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -73.26 -32.03 64.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.601 0.239 . . . . 0.0 111.321 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 50.9 mt -66.64 -34.02 76.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.085 177.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 5' ' ' THR . 63.1 mm-40 -51.64 -32.84 30.85 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.381 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.86 -49.53 75.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.432 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.43 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 24.3 ptm -76.06 -26.87 56.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.73 0.3 . . . . 0.0 111.175 -177.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.34 -32.89 74.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.381 174.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.14 -6.65 53.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.093 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -92.45 0.48 57.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.331 . . . . 0.0 110.966 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.81 22.71 57.45 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.725 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.6 m -93.55 75.08 4.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.563 0.696 . . . . 0.0 109.744 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.411 ' C ' HD22 ' A' ' 18' ' ' ASN . 7.0 p-10 -81.46 93.3 6.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.541 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.726 ' HB2' HD13 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -111.9 168.19 9.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.261 -178.262 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.3 ttt -69.16 -58.04 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.655 -176.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 20' ' ' LEU . 3.8 mm? -65.04 -27.6 68.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.48 -173.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.726 HD13 ' HB2' ' A' ' 18' ' ' ASN . 11.1 mp -61.92 -30.01 70.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.027 0.441 . . . . 0.0 110.736 178.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.5 mtt-85 -70.25 -43.05 71.35 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -69.75 -49.12 56.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.289 -175.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.1 m -56.33 -43.42 79.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.663 0.268 . . . . 0.0 111.418 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.16 -36.27 83.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.014 0.435 . . . . 0.0 111.011 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.4 -37.76 62.61 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.339 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -58.31 -41.32 84.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.73 0.3 . . . . 0.0 111.007 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 m -59.32 -39.75 84.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.34 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -64.72 -42.23 95.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.991 0.424 . . . . 0.0 110.399 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.14 -35.55 74.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.358 -176.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -68.53 -31.23 70.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.736 0.303 . . . . 0.0 110.878 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -84.59 6.84 22.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.459 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.416 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 24.6 mt-10 61.66 25.35 15.27 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.239 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.578 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 5.1 tp60 -96.26 47.48 1.08 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.989 0.9 . . . . 0.0 108.642 177.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.692 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 81.1 m-85 -55.98 -28.76 58.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.685 -176.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -58.73 -49.37 77.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.342 0.591 . . . . 0.0 110.479 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.566 ' HB3' ' HG3' ' A' ' 34' ' ' GLN . . . -74.19 -27.26 60.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.687 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.78 86.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.334 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.3 mt -51.24 -54.5 37.61 Favored Pre-proline 0 N--CA 1.468 0.44 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -174.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -63.53 -37.67 46.57 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 121.77 1.647 . . . . 0.0 112.314 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -70.98 -43.99 66.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.822 -176.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.77 -36.09 75.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.813 0.339 . . . . 0.0 110.607 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -63.74 -40.17 96.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.582 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.29 -39.94 92.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.629 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.88 -45.78 77.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.942 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.7 -26.02 67.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.868 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -67.28 -40.46 86.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.075 0.464 . . . . 0.0 110.25 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -82.04 -45.0 15.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.284 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.86 86.31 13.64 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 121.752 0.787 . . . . 0.0 111.36 -177.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -80.13 -3.81 12.87 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.855 2.37 . . . . 0.0 113.01 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.1 p -91.25 15.1 12.61 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -174.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.547 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 19.0 t80 -90.88 99.5 12.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.131 0.491 . . . . 0.0 110.428 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.643 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 7.7 p -52.06 -45.18 64.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.129 -0.942 . . . . 0.0 113.318 -176.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.547 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 21.2 t -58.63 -35.51 55.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.874 0.368 . . . . 0.0 110.719 -178.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.89 -38.01 89.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.026 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.643 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 8.5 m0 -60.08 -41.58 92.74 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.783 0.801 . . . . 0.0 109.284 178.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.888 ' HA ' HD21 ' A' ' 95' ' ' LEU . 58.4 tttm -65.22 -35.6 81.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.446 -1.252 . . . . 0.0 111.356 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 87.6 m95 -72.84 -37.76 67.33 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 121.21 -0.196 . . . . 0.0 110.929 176.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.75 -44.6 81.91 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.104 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.456 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -56.76 -44.27 91.77 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.044 176.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.483 ' HA ' ' HG2' ' A' ' 64' ' ' GLN . 43.9 mtpt -66.31 -26.49 67.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 111.373 177.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.692 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 33.3 m -66.62 -49.23 66.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.977 -177.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.5 -41.8 96.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.704 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.483 ' HG2' ' HA ' ' A' ' 61' ' ' LYS . 3.4 pt20 -69.08 -36.0 77.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.909 0.385 . . . . 0.0 110.57 -178.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.423 ' HA3' ' CE2' ' A' ' 35' ' ' PHE . . . -72.13 -34.59 61.35 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.902 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -63.07 -35.73 81.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.323 0.582 . . . . 0.0 109.75 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.25 25.89 5.11 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.426 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -114.08 99.99 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.102 0.477 . . . . 0.0 109.853 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.547 ' HG3' HD11 ' A' ' 102' ' ' LEU . 41.2 ttm105 -65.26 -38.64 90.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.398 -176.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.29 -45.98 74.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.922 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.95 -40.74 97.32 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.388 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.57 97.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.839 0.352 . . . . 0.0 110.663 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -56.12 -52.75 63.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.528 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -66.44 -34.8 78.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.152 -176.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.87 -50.04 73.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.45 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.58 ' CD1' HD22 ' A' ' 95' ' ' LEU . 11.1 m0 -66.85 -36.56 82.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.264 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -60.22 -38.38 83.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.996 0.427 . . . . 0.0 110.796 175.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 m -73.55 -43.86 58.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.926 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.04 -25.08 74.56 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 121.055 -0.593 . . . . 0.0 113.231 -176.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.1 tp -59.47 -53.22 60.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.219 0.533 . . . . 0.0 110.484 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.55 -29.79 70.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.294 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.51 88.76 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.541 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -67.97 -36.93 80.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.799 178.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.31 -46.37 90.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.028 174.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.7 t -64.51 -27.45 68.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.205 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.629 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 24.1 mmm180 -89.12 -8.29 54.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.31 . . . . 0.0 111.559 176.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.81 28.72 71.66 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.193 -0.527 . . . . 0.0 112.793 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.457 ' O ' HG23 ' A' ' 92' ' ' VAL . 7.0 t70 -101.61 86.54 2.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.455 0.645 . . . . 0.0 109.932 -178.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -59.7 -35.58 74.77 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.732 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.575 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 9.6 tt0 -57.99 -48.34 80.3 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.179 0.299 . . . . 0.0 110.672 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.2 t -68.8 -37.69 77.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.642 -176.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 88' ' ' ASP . 94.4 t -57.47 -50.7 76.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.079 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.516 ' O ' HG23 ' A' ' 97' ' ' VAL . 59.4 mtmt -67.94 -39.6 83.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.83 -178.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 25.4 mt-10 -59.09 -49.55 77.45 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.949 0.404 . . . . 0.0 111.119 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.888 HD21 ' HA ' ' A' ' 57' ' ' LYS . 60.9 mt -69.77 -33.75 72.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.83 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.699 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 28.8 tt0 -59.96 -42.19 93.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 93' ' ' LYS . 97.5 t -59.96 -45.53 95.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 120.954 0.406 . . . . 0.0 110.917 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -65.6 -38.61 89.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.589 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.513 HD13 ' HB2' ' A' ' 76' ' ' TRP . 53.1 tp -62.5 -32.75 73.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.145 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.699 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 1.1 mmp_? -71.14 -48.89 49.34 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 121.326 0.584 . . . . 0.0 109.884 178.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -57.49 -38.87 75.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.214 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.547 HD11 ' HG3' ' A' ' 69' ' ' ARG . 33.8 tp -64.45 -37.48 87.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.233 0.54 . . . . 0.0 110.509 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.41 -30.34 71.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.224 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 86.0 mtt-85 -65.12 -28.92 69.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.206 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -74.22 -39.58 63.0 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.005 0.431 . . . . 0.0 110.107 174.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -59.24 -39.97 84.47 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.761 0.791 . . . . 0.0 109.405 174.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.733 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.794 177.659 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.461 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 63.8 mt . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 121.047 0.451 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.3 t -59.1 -31.83 69.27 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.216 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -65.51 -46.75 78.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.007 0.432 . . . . 0.0 111.023 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 4' ' ' ILE . 7.3 ppt_? -73.3 -31.25 63.92 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.782 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.595 ' HB3' HD11 ' A' ' 25' ' ' LEU . 77.3 mt -64.46 -41.74 96.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.551 175.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -66.41 -33.88 76.7 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.322 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.89 -47.57 85.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.077 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 88.0 mtp -61.45 -36.8 81.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.619 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 16' ' ' THR . 31.8 tp -58.41 -46.77 85.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.049 175.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.47 -15.33 59.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.658 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -83.32 5.43 23.32 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.02 38.73 1.8 Allowed Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.838 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.442 ' O ' HD12 ' A' ' 12' ' ' LEU . 12.3 m -136.43 56.94 1.79 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.336 0.589 . . . . 0.0 109.486 173.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -68.33 82.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.07 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.456 ' HB3' ' HB3' ' A' ' 21' ' ' LEU . 25.0 t-20 -117.75 155.93 29.16 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.472 -171.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 23.3 ttt -81.4 -58.64 2.94 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.89 -175.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.6 tp -62.15 -34.71 76.9 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.954 0.407 . . . . 0.0 110.527 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.456 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . 3.3 tm? -59.75 -57.0 14.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.9 176.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.509 ' HA ' HD13 ' A' ' 25' ' ' LEU . 6.6 ptm180 -68.04 -24.54 65.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.61 0.243 . . . . 0.0 110.742 -176.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -66.07 -36.75 84.04 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.462 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.3 m -58.72 -41.54 86.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.456 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.595 HD11 ' HB3' ' A' ' 8' ' ' LEU . 7.8 mp -59.64 -37.5 78.84 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.476 177.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.69 -45.2 96.85 Favored Glycine 0 C--N 1.333 0.393 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.124 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 48.6 mtpt -61.81 -42.72 99.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.953 0.406 . . . . 0.0 110.36 176.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.0 m -59.08 -40.05 84.03 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.478 -177.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -62.77 -44.41 96.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.751 0.31 . . . . 0.0 110.429 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.04 -37.98 85.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.096 -177.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 27' ' ' LYS . 47.0 mt-10 -71.08 -26.07 62.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.201 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -97.11 18.99 13.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.352 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 68.51 21.1 8.24 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.581 0.705 . . . . 0.0 111.115 173.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.501 ' HG3' ' HB3' ' A' ' 37' ' ' ALA . 17.2 tp60 -97.18 46.1 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.509 ' HB3' HG23 ' A' ' 62' ' ' THR . 92.5 m-85 -50.85 -47.12 60.4 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.861 -1.063 . . . . 0.0 113.054 -170.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -60.99 -39.82 91.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.066 0.46 . . . . 0.0 111.331 -174.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.501 ' HB3' ' HG3' ' A' ' 34' ' ' GLN . . . -74.25 -27.98 61.01 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.809 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.77 -37.88 82.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.47 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.65 HD12 HE21 ' A' ' 66' ' ' GLN . 30.8 mt -55.9 -53.88 58.17 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -174.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.541 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 16.7 Cg_exo -67.65 -37.74 15.8 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 121.886 1.724 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -63.74 -38.84 92.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.599 -1.182 . . . . 0.0 110.474 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.503 HD23 HD23 ' A' ' 59' ' ' LEU . 35.1 tp -71.58 -36.65 70.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.587 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 57.2 mtt180 -60.45 -33.03 71.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.866 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.35 88.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.01 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.83 -42.27 73.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.025 0.44 . . . . 0.0 110.649 177.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.81 -26.28 68.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.028 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.96 -36.4 83.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.248 0.547 . . . . 0.0 110.493 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -80.91 -43.41 19.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.928 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -141.97 88.87 9.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.804 0.335 . . . . 0.0 110.851 -177.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.76 -7.47 19.61 Favored 'Trans proline' 0 CA--C 1.527 0.156 0 C-N-CA 122.611 2.207 . . . . 0.0 112.228 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.551 ' HB ' ' HD3' ' A' ' 86' ' ' ARG . 4.4 p -96.55 12.4 31.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.502 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.449 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 12.2 t80 -73.08 95.93 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.072 0.463 . . . . 0.0 109.829 178.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.598 ' HB3' HG21 ' A' ' 91' ' ' VAL . 5.7 m -53.15 -42.59 66.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.033 -0.985 . . . . 0.0 112.865 -173.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.449 ' HB ' ' CE1' ' A' ' 52' ' ' TYR . 74.4 t -61.08 -36.19 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.959 0.409 . . . . 0.0 110.828 -177.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.67 -32.18 71.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.482 -176.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.904 ' HH2' ' HG3' ' A' ' 86' ' ' ARG . 20.1 m0 -60.11 -43.37 95.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.449 0.643 . . . . 0.0 110.195 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.729 ' HA ' HD21 ' A' ' 95' ' ' LEU . 36.1 ttmt -64.16 -44.8 90.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.849 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -68.41 -35.94 78.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.43 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.503 HD23 HD23 ' A' ' 42' ' ' LEU . 1.2 tm? -59.38 -51.05 71.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.11 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.65 -40.5 98.84 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.538 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -59.0 -43.43 91.5 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.177 0.513 . . . . 0.0 110.874 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.509 HG23 ' HB3' ' A' ' 35' ' ' PHE . 19.4 m -69.52 -37.08 76.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.375 -175.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.7 mt -63.55 -33.94 76.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? -65.03 -43.71 91.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.09 -20.16 70.71 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.732 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.65 HE21 HD12 ' A' ' 39' ' ' LEU . 15.7 mm-40 -74.21 -23.53 59.21 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.707 0.289 . . . . 0.0 110.796 177.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.23 -5.74 33.98 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.098 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -82.67 89.19 6.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.587 0.708 . . . . 0.0 109.905 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -57.14 -44.72 83.63 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.978 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.61 -49.11 61.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 111.575 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.14 -40.97 97.91 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.872 -177.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.45 98.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.922 0.391 . . . . 0.0 111.259 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -66.49 -48.64 69.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.086 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -64.37 -34.42 78.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.186 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.18 -45.93 86.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.933 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.494 ' HB3' HD21 ' A' ' 99' ' ' LEU . 10.9 m0 -70.07 -36.19 74.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -60.8 -40.86 94.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.199 0.523 . . . . 0.0 110.177 175.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.2 t -70.88 -42.43 70.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.231 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.07 -30.9 79.07 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.388 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 80' ' ' LEU . 8.0 tp -62.34 -45.92 91.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.894 0.378 . . . . 0.0 110.327 178.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.7 -31.11 72.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.168 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.26 87.68 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 173.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.0 86.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.76 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -60.19 -50.8 72.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.448 174.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.5 m -59.39 -35.63 74.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.236 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.904 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 8.6 mmm180 -76.66 -16.4 59.55 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.15 9.56 60.61 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.318 -174.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.475 ' O ' HG23 ' A' ' 92' ' ' VAL . 5.3 m-20 -75.42 86.58 2.57 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.785 0.802 . . . . 0.0 110.58 -176.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -57.92 -44.16 86.67 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.307 -1.315 . . . . 0.0 112.739 -175.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.539 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 62.9 tt0 -63.31 -40.09 96.38 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.95 -175.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.598 HG21 ' HB3' ' A' ' 53' ' ' SER . 96.5 t -67.68 -37.86 79.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.437 -178.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 88' ' ' ASP . 90.7 t -58.36 -46.27 89.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.054 176.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.55 -38.35 90.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.651 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 35.7 mt-10 -69.4 -49.75 52.35 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.908 0.385 . . . . 0.0 111.036 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.729 HD21 ' HA ' ' A' ' 57' ' ' LYS . 26.6 mt -66.84 -32.0 72.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.093 -178.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.522 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 42.6 tt0 -58.2 -32.04 67.89 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.181 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 51.6 t -60.51 -38.76 79.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.05 0.452 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.41 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 98.0 m-85 -65.67 -38.85 90.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.008 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 76' ' ' TRP . 3.6 mm? -60.16 -38.65 83.83 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.88 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.554 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 38.0 mtt180 -67.41 -49.32 64.3 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-O 122.212 1.006 . . . . 0.0 109.935 -175.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -66.42 -43.39 85.85 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 113.618 -1.628 . . . . 0.0 110.963 -175.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.456 HD22 ' HZ3' ' A' ' 76' ' ' TRP . 43.4 tp -69.62 -39.33 77.26 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.044 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.82 -35.82 75.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.279 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 41.1 mtp85 -58.74 -41.69 87.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.083 0.468 . . . . 0.0 110.873 178.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -72.51 -42.17 65.11 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.915 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -71.24 -46.99 59.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.805 -176.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.631 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.301 -177.838 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.6 mm . . . . . 0 N--CA 1.449 -0.519 0 CA-C-O 120.976 0.417 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -52.83 56.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -174.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -61.23 -38.47 86.75 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.782 0.325 . . . . 0.0 111.754 -174.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -73.61 -42.75 61.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.304 -176.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.53 ' HB2' HD21 ' A' ' 25' ' ' LEU . 35.2 mt -68.34 -45.8 71.88 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.174 -0.211 . . . . 0.0 111.16 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -59.18 -35.06 72.91 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.553 0.216 . . . . 0.0 111.024 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.609 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -69.12 -50.25 49.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.309 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.4 ptm -72.94 -31.82 64.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.166 -176.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.536 HD13 HD12 ' A' ' 25' ' ' LEU . 9.4 tt -62.54 -44.51 96.18 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.31 -18.8 63.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.457 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 28.9 mm-40 -79.25 -8.7 59.24 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.864 0.364 . . . . 0.0 110.585 177.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.44 -6.97 24.64 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.922 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -85.08 70.38 10.9 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.12 0.486 . . . . 0.0 110.505 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.499 ' HB2' ' HG ' ' A' ' 12' ' ' LEU . 21.0 t70 -152.0 162.64 40.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.304 177.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -158.55 -58.96 0.07 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.238 -0.892 . . . . 0.0 108.917 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -158.21 -40.73 0.06 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.215 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.2 tt -53.96 -56.57 16.62 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.845 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 mp -67.09 -46.55 73.91 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.27 -0.172 . . . . 0.0 111.139 -174.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -55.67 -42.57 75.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.328 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.433 ' HE1' ' HB2' ' A' ' 55' ' ' ALA . 87.1 t80 -65.04 -44.76 88.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 110.357 176.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.4 m -62.73 -41.16 99.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.052 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.536 HD12 HD13 ' A' ' 12' ' ' LEU . 30.8 mt -63.42 -43.18 98.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.915 178.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.94 -45.4 95.18 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.464 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 87.5 tttt -61.7 -40.13 93.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.044 0.45 . . . . 0.0 110.488 176.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.5 m -64.72 -38.8 92.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.174 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -62.12 -39.69 93.42 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.321 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.94 -38.93 92.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.766 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 27' ' ' LYS . 51.2 mt-10 -69.05 -23.28 64.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.955 0.407 . . . . 0.0 110.811 177.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -93.48 8.61 39.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.391 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.409 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 33.1 tt0 62.6 27.14 16.06 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.729 0.776 . . . . 0.0 110.633 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -110.08 47.6 0.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.497 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 76.8 m-85 -53.21 -32.62 49.04 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 114.691 -1.141 . . . . 0.0 112.328 -172.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -55.48 -45.47 76.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.225 0.536 . . . . 0.0 110.819 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.65 -27.78 60.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.901 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.71 77.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.587 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 35' ' ' PHE . 94.0 mt -52.77 -54.28 45.13 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -173.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 18.3 Cg_endo -61.29 -42.56 34.07 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 121.994 1.796 . . . . 0.0 112.654 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -70.82 -36.66 73.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 -176.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.2 tp -70.74 -37.37 73.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.302 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -66.31 -39.44 89.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.485 177.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.73 -31.71 71.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.982 0.42 . . . . 0.0 110.851 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.68 -41.99 91.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.521 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 55' ' ' ALA . 72.1 mt -73.09 -25.62 60.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.485 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.0 -43.84 94.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.125 0.488 . . . . 0.0 109.753 176.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -82.07 -43.29 18.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.94 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -128.34 87.76 54.38 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.969 0.414 . . . . 0.0 111.161 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -71.02 -4.5 15.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.883 2.389 . . . . 0.0 112.07 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.401 ' HA ' ' HZ2' ' A' ' 56' ' ' TRP . 9.1 p -101.03 16.16 26.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.567 -176.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -87.37 89.28 7.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.006 0.431 . . . . 0.0 110.205 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.605 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 2.3 m -50.86 -41.46 58.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.821 -176.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.7 t -58.11 -39.17 71.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.949 0.404 . . . . 0.0 111.002 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.609 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -69.61 -28.76 66.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.432 -176.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.605 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 34.7 m0 -63.63 -49.03 74.88 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.207 0.527 . . . . 0.0 109.964 -178.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.985 ' HA ' HD21 ' A' ' 95' ' ' LEU . 84.5 tttt -67.64 -34.63 77.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.947 178.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -68.71 -27.67 66.16 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 84.3 mt -55.25 -51.56 66.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.018 0.437 . . . . 0.0 110.707 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.662 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -63.61 -41.58 99.06 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.572 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -58.91 -44.8 91.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.009 0.433 . . . . 0.0 110.706 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.1 m -65.0 -42.35 94.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.798 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.56 -31.28 69.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.657 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -67.34 -36.4 81.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.925 0.393 . . . . 0.0 110.537 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.15 -36.25 64.0 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.613 175.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -67.25 -38.38 85.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.817 0.341 . . . . 0.0 110.371 177.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.9 9.29 26.61 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.626 177.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -94.82 87.59 5.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.267 0.556 . . . . 0.0 110.244 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.578 ' HB2' HD11 ' A' ' 102' ' ' LEU . 13.2 ptt-85 -66.48 -33.94 76.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.356 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.32 -48.21 68.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.938 0.399 . . . . 0.0 110.546 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.38 -38.48 95.88 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.245 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.38 -42.96 99.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 110.456 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -58.9 -50.87 72.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.964 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -58.22 -43.84 87.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.879 177.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.49 -47.72 80.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.553 -177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.662 ' NE1' ' HA3' ' A' ' 60' ' ' GLY . 13.7 m0 -63.21 -39.62 95.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.209 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.21 -37.5 85.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.918 0.39 . . . . 0.0 110.596 175.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.1 m -71.01 -46.39 62.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.38 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.63 -30.38 74.73 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.669 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.7 tp -61.64 -53.25 58.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.119 0.485 . . . . 0.0 110.119 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.14 -31.68 72.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.061 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.99 -47.58 77.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.059 0.457 . . . . 0.0 109.774 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.564 ' HA ' ' CZ3' ' A' ' 56' ' ' TRP . . . -63.64 -43.28 97.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.866 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -59.74 -45.48 92.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.124 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 m -66.59 -27.79 68.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.618 ' HA ' ' NE ' ' A' ' 86' ' ' ARG . 5.1 mmp_? -96.47 -13.46 23.07 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.0 22.16 39.64 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.147 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.511 ' O ' HG23 ' A' ' 92' ' ' VAL . 34.0 m-20 -89.54 78.0 7.14 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.323 0.582 . . . . 0.0 110.103 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -60.54 -38.8 85.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.535 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -57.48 -44.84 85.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.431 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.534 HG21 ' HB3' ' A' ' 53' ' ' SER . 47.3 t -68.13 -38.5 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.632 -178.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 88' ' ' ASP . 99.2 t -57.91 -50.9 76.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.323 178.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.48 ' O ' HG23 ' A' ' 97' ' ' VAL . 53.7 mtmt -67.08 -36.55 82.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.818 -177.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -64.01 -49.5 72.17 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.75 0.31 . . . . 0.0 111.609 176.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.985 HD21 ' HA ' ' A' ' 57' ' ' LYS . 54.4 mt -68.5 -32.51 72.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.118 -178.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.484 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 62.5 tt0 -57.6 -40.6 79.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.709 176.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.527 ' O ' ' HG3' ' A' ' 101' ' ' ARG . 88.9 t -62.45 -43.59 98.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.014 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.42 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 61.2 m-85 -60.99 -39.73 90.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.338 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 70.5 mt -57.97 -37.93 75.1 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.103 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.497 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 26.6 mtp180 -69.14 -47.48 64.94 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.725 0.774 . . . . 0.0 109.91 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' A' ' 97' ' ' VAL . 52.4 mtp85 -59.47 -41.24 89.29 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.776 -179.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.578 HD11 ' HB2' ' A' ' 69' ' ' ARG . 50.5 tp -67.95 -36.75 80.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.727 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.09 -31.14 72.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.205 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 81.6 mtt-85 -56.66 -44.89 81.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.231 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -64.76 -40.3 95.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.417 0.627 . . . . 0.0 110.855 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -71.29 -44.65 64.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.404 -174.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.711 0 CA-C-N 115.133 -0.939 . . . . 0.0 111.764 179.556 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.481 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 63.9 mt . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 121.051 0.453 . . . . 0.0 110.597 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 p -60.8 -34.17 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.816 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.78 -47.91 84.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.012 0.434 . . . . 0.0 110.815 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 4' ' ' ILE . 18.2 ptp180 -73.75 -31.36 63.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.796 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 76.2 mt -63.22 -51.41 66.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.749 176.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -53.1 -40.13 63.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.079 0.466 . . . . 0.0 110.351 177.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.9 -49.27 68.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.652 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.532 ' HG3' HD22 ' A' ' 12' ' ' LEU . 24.2 ptm -72.44 -32.02 65.94 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.606 0.225 . . . . 0.0 111.606 -175.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.532 HD22 ' HG3' ' A' ' 11' ' ' MET . 4.2 mm? -73.43 -50.56 21.08 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.037 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.78 -21.61 66.51 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -173.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -98.03 16.54 20.78 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 122.204 -0.31 . . . . 0.0 111.234 -175.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.31 -58.35 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.524 -0.845 . . . . 0.0 112.051 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.7 m -140.01 86.49 2.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.906 0.384 . . . . 0.0 110.375 -177.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -72.06 -79.79 0.07 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 54.49 -162.95 0.13 Allowed 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.559 174.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -118.18 -33.32 4.44 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.1 mt -73.51 0.49 12.33 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.479 -0.782 . . . . 0.0 113.074 -171.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.8 mp -125.08 -44.27 1.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.122 0.487 . . . . 0.0 110.963 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -81.07 -7.57 59.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.713 -172.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -69.8 -32.66 71.23 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.683 0.278 . . . . 0.0 110.622 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.3 m -57.29 -33.78 68.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.489 -177.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.6 mp -58.55 -32.97 69.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.108 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.89 -37.78 86.08 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.026 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -61.02 -48.87 79.81 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.114 0.483 . . . . 0.0 109.86 173.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 m -57.64 -42.49 83.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.425 -176.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -60.39 -44.67 95.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.747 177.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.17 -39.28 71.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.076 -176.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -67.01 -31.91 72.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.88 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -88.14 13.91 10.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.656 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 68.45 20.5 8.5 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.498 171.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -103.94 71.67 1.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.586 0.708 . . . . 0.0 109.144 175.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.457 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 62.9 m-85 -66.7 -38.6 87.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.347 -177.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.01 -45.94 86.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.091 -176.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.72 -28.61 62.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.984 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.09 -37.69 72.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.521 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.46 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 89.0 mt -51.79 -55.09 33.21 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -173.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.46 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 64.6 Cg_endo -74.63 -26.55 11.6 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 121.474 1.45 . . . . 0.0 111.768 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -72.5 -45.88 57.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.479 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.2 tp -71.79 -43.43 65.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.114 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -63.75 -32.11 73.51 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.014 -0.275 . . . . 0.0 110.7 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.01 92.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.867 0.365 . . . . 0.0 110.438 175.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.73 88.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.722 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.545 HD21 ' HB3' ' A' ' 55' ' ' ALA . 55.0 mt -66.71 -26.02 66.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.325 177.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.39 -39.36 85.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.218 0.532 . . . . 0.0 109.93 176.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -77.88 -44.59 26.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.203 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -133.23 87.1 39.74 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 120.979 0.418 . . . . 0.0 110.265 -177.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.21 -3.74 14.22 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.741 2.294 . . . . 0.0 112.677 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.1 m -86.26 -11.5 52.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 -176.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.477 ' CZ ' ' HB ' ' A' ' 54' ' ' VAL . 13.8 t80 -74.32 94.27 2.5 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.539 0.685 . . . . 0.0 110.871 -178.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.597 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 4.9 p -60.72 -37.9 83.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.945 -1.025 . . . . 0.0 113.199 -175.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.477 ' HB ' ' CZ ' ' A' ' 52' ' ' TYR . 48.0 t -57.71 -36.4 54.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.827 0.346 . . . . 0.0 110.996 -177.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.545 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -67.96 -28.21 67.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.425 -177.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.597 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 30.8 m0 -59.27 -46.4 88.62 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.464 0.65 . . . . 0.0 109.585 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.794 ' HA ' HD21 ' A' ' 95' ' ' LEU . 81.5 tttt -66.0 -36.47 83.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.091 -0.958 . . . . 0.0 111.464 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -71.16 -37.61 72.21 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -56.95 -43.3 81.43 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 120.944 0.402 . . . . 0.0 110.811 -175.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.495 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -64.87 -34.87 91.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.408 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -62.72 -39.77 95.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 111.106 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.47 -32.42 66.23 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.856 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' A' ' 75' ' ' ALA . 34.1 mt -69.72 -34.85 74.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.711 0.291 . . . . 0.0 110.704 175.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -59.26 -36.52 75.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.393 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.29 -16.86 63.17 Favored Glycine 0 CA--C 1.52 0.358 0 CA-C-N 115.837 -0.619 . . . . 0.0 113.077 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -78.24 -15.12 59.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.672 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.25 -3.15 75.86 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.308 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -93.33 92.52 7.72 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.466 ' HB2' HD11 ' A' ' 102' ' ' LEU . 37.9 ptt180 -64.58 -31.35 72.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.882 -175.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.08 -50.41 55.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.733 0.301 . . . . 0.0 111.301 -177.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.21 -35.83 78.17 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.787 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.54 -51.16 71.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.256 . . . . 0.0 111.116 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.616 ' HB3' HD23 ' A' ' 102' ' ' LEU . 23.5 ptt180 -69.24 -33.99 74.12 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.083 -178.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -57.14 -38.99 74.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.607 0.241 . . . . 0.0 111.055 175.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -63.09 -41.48 99.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.004 0.431 . . . . 0.0 110.758 177.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.598 ' CE3' ' HA ' ' A' ' 73' ' ' ARG . 13.6 m0 -66.85 -39.61 87.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.577 178.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.38 -38.28 88.96 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.917 0.389 . . . . 0.0 110.758 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.9 m -68.5 -43.75 76.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.817 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.74 -28.27 73.68 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.958 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.34 -49.33 78.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.989 0.423 . . . . 0.0 110.171 177.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.27 -33.37 75.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.144 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.32 -41.73 96.68 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.3 -42.12 72.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.65 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.497 HE21 HG21 ' A' ' 92' ' ' VAL . 17.3 mm-40 -57.56 -45.84 84.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.811 176.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.5 t -58.3 -39.54 79.63 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.506 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -84.11 -13.53 52.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.73 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.3 24.7 60.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.923 -178.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.448 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.4 OUTLIER -91.97 82.61 5.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.668 0.747 . . . . 0.0 110.504 -176.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -58.22 -43.13 87.56 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.377 -1.283 . . . . 0.0 112.54 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -59.24 -40.07 84.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.711 0.291 . . . . 0.0 110.624 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.4 t -66.53 -40.78 87.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.989 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.497 HG21 HE21 ' A' ' 84' ' ' GLN . 77.6 t -59.49 -45.87 93.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.363 176.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.441 ' O ' HG23 ' A' ' 97' ' ' VAL . 75.8 mmtt -60.71 -47.52 85.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.105 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.48 -45.9 87.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.801 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.794 HD21 ' HA ' ' A' ' 57' ' ' LYS . 84.6 mt -69.24 -37.68 78.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.368 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.61 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 44.7 mt-30 -60.29 -29.88 69.12 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 111.462 0.171 . . . . 0.0 111.462 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 93' ' ' LYS . 93.6 t -59.92 -41.44 85.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-O 120.877 0.37 . . . . 0.0 110.629 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -67.3 -39.03 85.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.575 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.85 -35.46 78.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.577 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.666 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 45.2 mmt-85 -69.7 -53.44 18.53 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 121.161 0.505 . . . . 0.0 110.581 -175.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -59.13 -43.17 91.96 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.952 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.616 HD23 ' HB3' ' A' ' 73' ' ' ARG . 37.6 tp -67.2 -36.01 80.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.126 0.488 . . . . 0.0 110.492 -178.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.41 -32.1 68.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.316 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.666 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 62.0 mtp85 -62.45 -41.07 98.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.596 0.236 . . . . 0.0 111.038 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -62.91 -40.0 96.24 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.015 0.435 . . . . 0.0 110.599 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -68.47 -43.22 77.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.5 177.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.684 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.778 -179.923 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.464 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 75.5 mt . . . . . 0 N--CA 1.45 -0.448 0 CA-C-O 121.142 0.496 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 p -62.81 -40.01 96.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.106 -177.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.429 ' HA ' ' HG2' ' A' ' 9' ' ' GLU . 21.6 mt-10 -63.22 -45.77 90.08 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -68.41 -32.57 72.72 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.566 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 84.5 mt -67.28 -49.93 62.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.769 177.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.439 ' HA ' HD23 ' A' ' 12' ' ' LEU . 10.1 pt-20 -66.11 -30.99 71.6 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 120.693 0.283 . . . . 0.0 110.914 -178.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.17 -35.1 71.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.876 0.369 . . . . 0.0 110.748 176.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.432 ' HE2' ' HA ' ' A' ' 8' ' ' LEU . 65.0 mtm -69.46 -35.77 75.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.587 177.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 9' ' ' GLU . 4.2 mm? -59.56 -37.75 79.29 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.26 -26.22 66.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.081 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -81.81 -6.01 58.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.811 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.84 -8.01 61.2 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.703 -0.76 . . . . 0.0 113.936 172.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.2 t -80.94 68.85 7.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.413 1.101 . . . . 0.0 110.135 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -81.07 108.43 14.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.204 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.511 HD21 HD23 ' A' ' 21' ' ' LEU . 10.4 p30 -125.63 174.26 8.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.193 0.52 . . . . 0.0 110.533 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.601 ' CE ' ' HB2' ' A' ' 49' ' ' ASP . 17.7 ttt -91.43 -25.36 19.37 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.026 -173.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.5 mt -82.66 -19.06 38.91 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -166.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.511 HD23 HD21 ' A' ' 18' ' ' ASN . 2.9 pp -79.85 -7.11 58.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.811 -0.555 . . . . 0.0 112.016 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 22' ' ' ARG . 57.8 mtt-85 -74.82 -38.13 62.14 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -172.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -69.72 -30.83 68.54 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.993 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.2 m -63.44 -35.97 82.18 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.67 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.19 -44.12 92.21 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.341 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.568 ' HA3' HD21 ' A' ' 42' ' ' LEU . . . -60.48 -36.46 91.32 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.487 -179.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -59.69 -38.77 82.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.75 0.309 . . . . 0.0 110.893 178.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.8 m -69.3 -36.22 76.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.886 0.374 . . . . 0.0 110.735 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -68.34 -41.09 81.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.278 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.39 -45.43 72.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.194 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -62.58 -32.47 73.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.044 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.7 12.71 24.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.2 -178.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 61.56 39.02 15.17 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.221 0.609 . . . . 0.0 112.328 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -111.84 46.29 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -53.14 -43.9 67.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.335 -174.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -55.5 -44.21 76.37 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.192 0.52 . . . . 0.0 111.32 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.54 -27.99 61.64 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.928 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.97 -37.95 79.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.521 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.3 mt -51.84 -54.37 41.0 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -174.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.23 -32.33 27.08 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 121.68 1.587 . . . . 0.0 112.349 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -71.64 -38.4 70.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.412 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.568 HD21 ' HA3' ' A' ' 26' ' ' GLY . 71.8 mt -71.12 -35.19 71.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.293 175.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -64.15 -31.54 72.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.98 177.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.05 85.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.673 174.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.79 -39.08 76.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.019 0.438 . . . . 0.0 110.155 175.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.85 -23.89 67.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.728 176.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -67.86 -29.97 69.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.128 0.489 . . . . 0.0 109.946 177.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -81.35 -43.54 18.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.756 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.601 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 13.2 t70 -122.85 139.59 31.62 Favored Pre-proline 0 C--N 1.329 -0.299 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.326 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.512 ' HD3' ' HA ' ' A' ' 49' ' ' ASP . 4.8 Cg_exo -79.18 -22.03 8.75 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.764 2.309 . . . . 0.0 113.412 -176.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.707 ' OG1' ' HA ' ' A' ' 82' ' ' ALA . 4.1 t -158.17 83.41 0.85 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.908 0.861 . . . . 0.0 111.537 -172.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.464 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 45.6 t80 -109.82 121.45 45.26 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.608 178.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.49 ' HB3' ' HA ' ' A' ' 83' ' ' ALA . 3.4 p -52.69 -51.99 57.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.69 -173.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.464 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 50.9 t -64.3 -40.27 88.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.459 -176.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.71 -48.21 75.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.357 -175.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -67.34 -34.76 78.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.206 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.679 ' HA ' HD21 ' A' ' 95' ' ' LEU . 79.6 tttt -61.79 -43.41 98.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.688 176.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 62.9 m95 -73.68 -33.03 64.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.073 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.54 -42.76 79.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.953 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.29 -44.66 96.35 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 121.16 -0.543 . . . . 0.0 112.204 176.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt -63.68 -36.36 83.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.055 0.455 . . . . 0.0 110.914 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.8 m -68.52 -44.57 74.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.109 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.548 HD12 ' HB2' ' A' ' 75' ' ' ALA . 38.2 mt -69.14 -30.88 69.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.684 0.278 . . . . 0.0 111.012 177.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -61.13 -46.4 90.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.027 174.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.66 -27.08 73.01 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.49 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -62.71 -33.85 75.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.018 0.437 . . . . 0.0 110.002 176.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.5 16.96 14.43 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.899 176.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -114.33 100.66 8.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.029 0.442 . . . . 0.0 110.305 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.98 -28.8 69.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.479 -176.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.34 -49.53 63.68 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.573 0.225 . . . . 0.0 110.523 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.6 -36.66 92.97 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.772 175.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.92 -45.3 93.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.43 0.157 . . . . 0.0 110.672 177.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -59.56 -48.09 82.99 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -55.71 -50.77 69.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.293 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.548 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -62.14 -45.94 91.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.018 -175.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.43 ' HE3' HD22 ' A' ' 102' ' ' LEU . 9.3 m0 -71.02 -39.84 72.12 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -176.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -64.99 -41.77 95.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.142 0.496 . . . . 0.0 110.551 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -73.64 -36.78 65.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.412 -178.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.52 -21.05 70.41 Favored Glycine 0 C--N 1.332 0.308 0 CA-C-N 115.839 -0.619 . . . . 0.0 113.753 -175.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.3 tp -58.08 -43.7 87.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.325 0.583 . . . . 0.0 110.005 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.56 -30.71 68.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.615 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.707 ' HA ' ' OG1' ' A' ' 51' ' ' THR . . . -67.19 -39.88 86.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.275 0.559 . . . . 0.0 110.367 178.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.49 ' HA ' ' HB3' ' A' ' 53' ' ' SER . . . -71.81 -37.01 70.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.474 177.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -66.78 -42.61 85.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.188 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.5 t -64.7 -36.9 85.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.523 ' HA ' ' HE ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -79.28 -9.5 59.59 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.183 177.401 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.51 33.78 87.46 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.852 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.471 ' O ' HG23 ' A' ' 92' ' ' VAL . 4.8 t70 -105.55 85.53 2.26 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.341 0.591 . . . . 0.0 110.254 -176.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -54.54 -33.06 59.42 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.556 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.614 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 7.2 tt0 -56.83 -48.44 78.01 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.143 -0.223 . . . . 0.0 110.484 176.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.416 HG23 ' OD1' ' A' ' 88' ' ' ASP . 52.7 t -68.65 -36.9 76.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.419 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 88' ' ' ASP . 62.1 t -57.46 -50.63 76.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.354 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.494 ' O ' HG23 ' A' ' 97' ' ' VAL . 68.7 mttm -66.29 -37.51 85.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.788 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 52.9 mt-10 -60.95 -49.13 78.7 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.985 0.421 . . . . 0.0 110.539 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.679 HD21 ' HA ' ' A' ' 57' ' ' LYS . 75.2 mt -67.34 -32.69 73.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.685 178.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -59.15 -43.32 92.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.354 176.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 93' ' ' LYS . 97.9 t -62.59 -41.14 90.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -62.94 -37.02 85.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.965 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.3 -37.26 82.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.974 0.416 . . . . 0.0 110.993 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -73.72 -43.4 59.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.446 0.641 . . . . 0.0 109.818 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -56.59 -45.58 81.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.055 175.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.43 HD22 ' HE3' ' A' ' 76' ' ' TRP . 54.3 tp -67.57 -35.13 78.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.361 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.27 -32.52 62.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.58 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -56.59 -45.74 81.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.216 0.532 . . . . 0.0 110.403 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -72.51 -39.24 67.77 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.277 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -71.53 -47.69 53.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.49 -177.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.667 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.655 -178.147 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.454 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 63.7 mt . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.879 0.371 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.4 p -56.98 -41.59 78.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.726 -177.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.9 -41.89 86.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.424 -173.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -74.05 -32.53 63.35 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.219 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 86.3 mt -64.7 -52.8 55.25 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.182 -0.207 . . . . 0.0 111.452 -178.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.25 -32.36 73.98 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 111.079 -177.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.28 99.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.187 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.415 ' HB2' ' HE3' ' A' ' 11' ' ' MET . 73.4 mtm -63.77 -45.23 90.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.464 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.882 ' HG ' ' HA ' ' A' ' 17' ' ' ASP . 9.6 mp -59.54 -38.72 81.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.973 0.416 . . . . 0.0 110.595 178.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.6 -18.84 62.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.535 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -94.16 2.4 55.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.986 0.422 . . . . 0.0 111.298 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.33 4.36 50.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.413 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -99.77 55.47 0.95 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.764 0.792 . . . . 0.0 109.183 176.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.882 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 16.8 t70 -71.76 -70.37 0.33 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.56 -174.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.447 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 48.3 m-80 67.36 173.28 0.26 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.267 0.556 . . . . 0.0 111.788 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -93.73 -49.98 5.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.069 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 20' ' ' LEU . 2.9 tm? -62.84 -33.96 76.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.591 -176.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.6 tp -71.86 -32.14 67.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.512 -177.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.615 HH11 ' HB1' ' A' ' 44' ' ' ALA . 95.3 mtt180 -61.82 -43.94 97.84 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.145 0.498 . . . . 0.0 110.126 174.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -64.97 -36.78 85.51 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.807 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.2 m -58.43 -35.61 72.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.797 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.9 mt -69.94 -45.54 67.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.814 175.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.94 -47.29 91.97 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 121.077 -0.582 . . . . 0.0 113.049 -175.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -64.62 -36.77 85.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.749 0.309 . . . . 0.0 111.011 -178.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.1 m -69.48 -40.67 76.92 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.87 0.367 . . . . 0.0 111.132 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -62.5 -40.12 95.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.677 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.72 -35.45 79.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.157 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.57 -23.55 66.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -101.98 13.42 34.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.404 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 39.9 tt0 67.58 15.11 9.73 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.726 0.774 . . . . 0.0 110.692 179.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -89.72 45.64 1.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.918 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.561 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 88.4 m-85 -55.61 -31.28 62.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.335 -176.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -60.68 -46.97 88.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.657 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.6 -27.95 60.69 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.105 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.61 74.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.415 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 35' ' ' PHE . 48.0 mt -49.81 -54.34 33.03 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -174.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 20.6 Cg_endo -63.08 -40.21 35.04 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 121.837 1.691 . . . . 0.0 112.392 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -71.44 -38.49 71.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.069 -177.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.6 tp -71.11 -42.31 69.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.095 0.474 . . . . 0.0 110.27 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -62.77 -43.97 97.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.487 -178.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.615 ' HB1' HH11 ' A' ' 22' ' ' ARG . . . -64.3 -33.0 74.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.693 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.32 -47.67 63.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.059 0.457 . . . . 0.0 110.793 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 55' ' ' ALA . 66.4 mt -69.53 -25.21 63.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.673 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.89 -42.08 79.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.267 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -82.33 -43.62 17.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.629 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -135.08 88.81 25.52 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 120.889 0.375 . . . . 0.0 111.04 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.21 -4.1 14.58 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.714 2.276 . . . . 0.0 112.416 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.8 p -96.0 23.25 6.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.025 -176.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.474 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 18.2 t80 -86.36 98.27 10.89 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 177.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.642 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 12.9 m -48.98 -43.73 40.29 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -173.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.474 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 41.3 t -61.72 -36.29 72.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.912 0.387 . . . . 0.0 110.833 -177.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.494 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -70.17 -28.95 65.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.549 -176.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.642 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 31.2 m0 -58.55 -47.97 82.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.06 0.457 . . . . 0.0 110.324 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.631 ' HD2' ' HE2' ' A' ' 98' ' ' PHE . 6.8 ttpm? -67.21 -34.82 78.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.215 178.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -66.14 -33.06 74.93 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.307 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 71.3 mt -55.27 -51.71 65.76 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.076 0.235 . . . . 0.0 111.253 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.432 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -61.56 -40.4 98.66 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.443 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -69.51 -40.95 76.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.618 0.247 . . . . 0.0 111.181 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.561 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 23.6 m -67.73 -42.24 82.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.787 -179.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 59' ' ' LEU . 82.4 mt -67.38 -34.94 78.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.446 177.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -64.96 -42.47 94.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.401 176.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.89 -35.11 85.77 Favored Glycine 0 C--O 1.228 -0.266 0 C-N-CA 121.066 -0.587 . . . . 0.0 111.998 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -49.48 66.16 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 173.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.32 9.56 2.07 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.309 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.409 ' HB2' ' HB3' ' A' ' 63' ' ' LEU . 11.5 m-20 -82.98 86.63 6.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.565 0.222 . . . . 0.0 110.833 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.635 ' HD3' ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -65.39 -37.22 86.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.673 176.744 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.635 ' N ' ' HD3' ' A' ' 69' ' ' ARG . . . -69.16 -47.64 64.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.517 177.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.99 -43.34 99.31 Favored Glycine 0 C--N 1.33 0.229 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.866 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.59 -47.35 82.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.792 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.654 ' HG3' HD11 ' A' ' 99' ' ' LEU . 78.6 ttt180 -62.7 -45.57 92.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.678 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -57.32 -46.15 83.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.913 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.21 98.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.551 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.432 ' NE1' ' HA3' ' A' ' 60' ' ' GLY . 27.0 m0 -71.89 -43.51 65.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.334 -176.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -67.32 -42.96 82.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.72 0.295 . . . . 0.0 111.256 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.4 t -73.47 -39.03 65.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -177.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.99 -14.46 76.07 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.706 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.1 tp -60.92 -49.12 78.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.165 0.507 . . . . 0.0 110.481 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.94 -32.64 73.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.211 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.92 -45.89 83.96 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.619 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -65.28 -40.13 93.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.752 178.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.791 HE21 HG21 ' A' ' 92' ' ' VAL . 18.4 mm-40 -58.95 -47.29 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 174.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.7 t -58.25 -41.55 84.49 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.806 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.436 ' HD2' ' HH2' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -77.58 -14.69 59.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.46 22.81 66.56 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.949 -176.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.523 ' O ' HG23 ' A' ' 92' ' ' VAL . 3.6 m-20 -82.98 81.58 8.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.343 0.592 . . . . 0.0 110.372 -178.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -56.92 -43.79 81.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.995 -1.002 . . . . 0.0 112.318 -177.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -62.17 -45.11 94.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.739 0.304 . . . . 0.0 110.269 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.3 t -65.89 -39.96 86.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.872 -175.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.791 HG21 HE21 ' A' ' 84' ' ' GLN . 98.1 t -58.67 -51.78 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.094 0.473 . . . . 0.0 110.27 177.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.548 ' O ' HG23 ' A' ' 97' ' ' VAL . 56.9 mtmt -67.57 -36.56 81.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.57 -176.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -58.8 -49.24 78.43 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 121.129 0.49 . . . . 0.0 110.434 175.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.477 HD21 ' HA ' ' A' ' 57' ' ' LYS . 83.8 mt -61.64 -44.68 96.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.245 -178.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.556 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 98.4 mt-30 -56.96 -41.56 78.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 93' ' ' LYS . 79.8 t -61.13 -51.23 75.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.522 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.631 ' HE2' ' HD2' ' A' ' 57' ' ' LYS . 61.4 m-85 -65.62 -36.4 83.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.743 0.306 . . . . 0.0 111.283 -175.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.654 HD11 ' HG3' ' A' ' 73' ' ' ARG . 42.2 tp -59.15 -40.48 85.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.31 -178.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 7.4 mtp180 -75.93 -43.8 43.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.247 0.546 . . . . 0.0 110.365 -177.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -56.62 -37.89 71.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.01 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 63.5 tp -66.88 -42.7 85.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.996 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.99 -32.58 69.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.626 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -60.21 -47.29 86.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.971 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -73.37 -35.27 65.92 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.701 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.56 -47.47 54.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.896 0.379 . . . . 0.0 111.372 -177.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.18 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.441 HG21 ' CG2' ' A' ' 24' ' ' THR . 41.2 mm . . . . . 0 CA--C 1.535 0.386 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.407 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 28.3 m -62.22 -53.19 58.82 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -171.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.03 -41.48 96.65 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -175.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 7' ' ' ARG . 11.3 ptm85 -73.08 -32.03 64.75 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.536 -176.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 8' ' ' LEU . 28.4 mt -67.92 -38.22 82.64 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.702 174.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 5' ' ' THR . 39.9 mt-10 -60.2 -30.3 69.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.467 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.94 -30.78 68.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.063 0.459 . . . . 0.0 110.767 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 63.4 mtt -75.39 -31.6 60.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.264 0.554 . . . . 0.0 109.904 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 12' ' ' LEU . 4.3 mm? -67.05 -28.36 68.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.454 177.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.58 -19.44 65.92 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.664 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -95.96 -6.73 38.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.473 175.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.51 42.91 79.76 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.407 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.8 m -149.79 99.12 2.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.075 0.464 . . . . 0.0 111.329 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -127.56 175.36 8.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.834 174.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.64 177.18 7.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.865 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -62.01 -42.6 99.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.556 -176.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tt -55.29 -43.44 74.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.14 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.14 -43.92 93.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.686 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.435 ' HA ' ' HD3' ' A' ' 22' ' ' ARG . 20.4 mmt180 -58.91 -44.51 91.28 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.78 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -65.94 -44.52 84.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.522 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.441 ' CG2' HG21 ' A' ' 4' ' ' ILE . 29.3 m -62.92 -37.66 87.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.086 -178.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.3 mt -60.86 -49.66 76.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.55 177.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.7 -38.91 96.23 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.689 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -56.74 -42.03 78.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.044 0.45 . . . . 0.0 110.306 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.4 m -66.75 -41.73 87.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.124 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -65.08 -41.28 95.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.653 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.31 83.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.033 0.444 . . . . 0.0 110.592 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.06 -22.34 61.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.392 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -87.08 3.56 45.68 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 67.06 21.07 10.28 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.764 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -104.54 73.64 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 175.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -65.65 -34.84 79.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.866 -174.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -56.72 -45.27 81.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.346 0.594 . . . . 0.0 111.183 -176.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.11 -26.87 61.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.023 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.74 -37.69 85.15 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.362 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mp -49.62 -55.22 24.19 Favored Pre-proline 0 N--CA 1.474 0.769 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -172.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -63.63 -36.4 53.09 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.631 1.554 . . . . 0.0 112.34 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -71.7 -41.57 68.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.041 -176.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.456 ' HB3' HD21 ' A' ' 59' ' ' LEU . 95.9 mt -69.4 -38.02 77.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.745 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -62.68 -40.33 96.78 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.67 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.68 88.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.211 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.17 -47.61 64.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.061 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.434 HD21 ' HB3' ' A' ' 55' ' ' ALA . 66.7 mt -64.36 -25.36 68.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.374 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -60.06 -36.44 77.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.502 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -76.32 -44.48 36.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.333 178.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -145.4 88.62 6.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.979 0.419 . . . . 0.0 111.335 -172.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -69.35 -7.96 22.32 Favored 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 123.169 2.579 . . . . 0.0 113.621 -175.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.425 ' HA ' ' HZ2' ' A' ' 56' ' ' TRP . 10.9 t -91.32 19.21 6.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.118 0.485 . . . . 0.0 111.321 -177.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -76.96 87.95 3.5 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.587 ' HB3' HG21 ' A' ' 91' ' ' VAL . 16.9 m -50.07 -40.22 44.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.682 -175.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.422 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 43.3 t -59.41 -37.9 72.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.99 0.424 . . . . 0.0 111.068 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.434 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -72.13 -31.05 65.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.752 -174.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.521 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 37.6 m0 -56.74 -48.24 78.23 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.254 0.55 . . . . 0.0 110.495 -177.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.664 ' HA ' HD21 ' A' ' 95' ' ' LEU . 16.8 ttpt -66.17 -38.74 88.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.609 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.422 ' HD1' ' O ' ' A' ' 54' ' ' VAL . 73.8 m95 -75.28 -41.81 56.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.456 HD21 ' HB3' ' A' ' 42' ' ' LEU . 3.4 mm? -56.97 -47.51 80.56 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.963 0.411 . . . . 0.0 111.079 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.04 -40.59 97.24 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.396 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 64' ' ' GLN . 18.4 ttpp -71.08 -26.22 62.96 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 121.185 0.517 . . . . 0.0 110.471 -179.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.2 m -70.47 -32.93 70.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.126 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.643 ' HA ' HE21 ' A' ' 66' ' ' GLN . 85.2 mt -69.27 -38.07 78.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.11 0.481 . . . . 0.0 109.803 174.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.4 ' HB3' ' O ' ' A' ' 61' ' ' LYS . 29.1 tt0 -56.93 -43.2 81.22 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.663 176.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.2 -11.35 55.37 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.689 -0.687 . . . . 0.0 113.38 -177.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.643 HE21 ' HA ' ' A' ' 63' ' ' LEU . 49.9 mt-30 -91.61 -7.51 49.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.838 0.351 . . . . 0.0 110.942 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.36 -17.3 51.43 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.311 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -87.77 80.17 7.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.464 0.65 . . . . 0.0 110.477 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.527 ' HB2' HD11 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -67.21 -29.41 69.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.681 179.756 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.407 ' N ' ' HD2' ' A' ' 69' ' ' ARG . . . -67.25 -46.68 72.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 110.817 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.05 -31.2 77.19 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.415 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.01 -51.03 66.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.591 -0.305 . . . . 0.0 111.255 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.56 ' HD3' HD12 ' A' ' 102' ' ' LEU . 48.1 ptt85 -67.16 -33.63 75.82 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.029 -178.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -61.64 -39.8 92.62 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.012 0.435 . . . . 0.0 110.324 175.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.77 91.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.5 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.516 ' CD1' HD22 ' A' ' 95' ' ' LEU . 19.4 m0 -67.28 -36.23 81.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.579 178.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -59.43 -43.59 93.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.014 174.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.4 m -73.28 -39.16 65.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.18 -27.72 73.55 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.1 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.54 -52.17 66.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.227 0.537 . . . . 0.0 110.114 177.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.29 -32.16 72.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.026 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.52 -48.25 78.31 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.405 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -62.47 -43.53 98.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.725 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.834 HE21 HG21 ' A' ' 92' ' ' VAL . 24.1 mm-40 -58.6 -48.32 81.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.083 176.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.2 t -64.47 -39.34 93.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.413 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -84.23 -13.58 52.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.969 0.414 . . . . 0.0 111.039 -175.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.85 36.2 8.63 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.096 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -114.23 91.55 3.67 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.194 0.521 . . . . 0.0 109.668 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -65.28 -37.52 87.42 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.17 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.502 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 48.5 tt0 -56.39 -47.51 78.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.111 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.587 HG21 ' HB3' ' A' ' 53' ' ' SER . 60.2 t -60.68 -39.35 81.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.956 0.408 . . . . 0.0 110.103 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.834 HG21 HE21 ' A' ' 84' ' ' GLN . 89.3 t -58.73 -49.99 80.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.373 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -66.69 -36.51 82.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.466 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 40.9 mt-10 -61.91 -49.37 76.47 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.007 0.432 . . . . 0.0 110.192 176.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.664 HD21 ' HA ' ' A' ' 57' ' ' LYS . 75.9 mt -66.36 -32.79 74.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.079 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.619 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 76.2 mm-40 -56.36 -36.92 69.36 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.693 -0.23 . . . . 0.0 110.745 176.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.24 -45.31 98.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.935 0.398 . . . . 0.0 110.296 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -64.69 -35.84 82.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.62 178.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.8 -37.9 83.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.516 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 7.1 mmp_? -69.88 -49.43 52.31 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.496 0.665 . . . . 0.0 109.718 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -56.84 -46.5 81.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.072 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.56 HD12 ' HD3' ' A' ' 73' ' ' ARG . 0.3 OUTLIER -67.6 -38.84 84.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.682 -178.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.0 83.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.739 -177.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -65.19 -31.93 73.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.663 0.268 . . . . 0.0 110.914 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -70.0 -47.0 63.91 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.103 0.478 . . . . 0.0 110.62 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -71.49 -34.53 70.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.482 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.348 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.358 -179.304 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.479 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 60.5 mt . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 121.372 0.606 . . . . 0.0 109.78 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.45 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 16.2 p -59.73 -39.1 83.6 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.234 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.36 -42.17 95.21 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -176.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 4' ' ' ILE . 19.1 ptp180 -73.56 -32.7 64.31 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.589 178.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 96.7 mt -65.67 -48.06 73.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.477 177.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 5' ' ' THR . 9.5 mm-40 -53.07 -37.1 61.35 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.706 178.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.41 -49.75 72.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.084 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 72.3 mtm -62.15 -31.83 72.37 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.779 0.323 . . . . 0.0 111.446 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.657 ' HG ' ' HB2' ' A' ' 17' ' ' ASP . 10.0 mp -63.16 -33.63 75.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.709 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.01 -22.41 64.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.668 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -77.46 -2.22 34.25 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.815 0.34 . . . . 0.0 110.76 176.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.7 10.49 52.88 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.348 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -95.41 39.64 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.708 0.766 . . . . 0.0 110.426 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.657 ' HB2' ' HG ' ' A' ' 12' ' ' LEU . 10.7 t0 -109.35 114.34 27.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.274 178.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -114.95 -68.2 0.94 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.146 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -170.78 -44.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.723 HD22 ' HE2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -59.65 -45.88 90.68 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.243 -174.489 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 21' ' ' LEU . 6.1 mp -73.68 -22.42 59.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.066 0.46 . . . . 0.0 110.592 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.447 ' HD3' ' OD1' ' A' ' 17' ' ' ASP . 20.5 ttp180 -77.57 -45.57 24.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.771 -170.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.723 ' HE2' HD22 ' A' ' 20' ' ' LEU . 25.5 p90 -70.2 -31.66 69.21 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.075 177.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.5 m -58.08 -35.51 71.5 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.755 177.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 8' ' ' LEU . 93.7 mt -61.88 -49.48 76.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.318 175.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.605 ' HA3' ' HG ' ' A' ' 42' ' ' LEU . . . -59.5 -42.12 97.48 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.321 -178.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -56.59 -48.91 76.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.074 0.464 . . . . 0.0 110.567 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 14.9 m -69.36 -40.34 77.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.593 -175.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -62.97 -41.5 99.56 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 121.178 -0.209 . . . . 0.0 110.843 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.28 -45.35 84.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.167 0.508 . . . . 0.0 110.579 -178.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -67.92 -22.47 65.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.979 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.485 ' HB2' ' O ' ' A' ' 28' ' ' THR . 0.7 OUTLIER -92.5 10.94 28.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.901 -177.489 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 67.32 26.06 8.6 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.769 0.795 . . . . 0.0 110.68 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -110.0 46.1 1.05 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 175.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -50.33 -43.25 53.89 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.649 -172.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.7 -38.26 90.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.138 0.494 . . . . 0.0 110.837 -176.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.29 -27.71 61.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.968 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.65 -37.99 80.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.406 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.72 HD11 ' HG3' ' A' ' 66' ' ' GLN . 98.3 mt -51.96 -53.65 49.21 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 -172.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 14.7 Cg_endo -58.44 -42.16 58.02 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 122.097 1.865 . . . . 0.0 112.738 -179.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -68.48 -42.33 78.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.578 0.228 . . . . 0.0 111.013 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.605 ' HG ' ' HA3' ' A' ' 26' ' ' GLY . 81.2 mt -66.61 -42.25 87.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.55 178.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 43' ' ' ARG . 19.9 ttt180 -65.23 -41.99 93.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.415 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.63 -32.8 74.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.901 0.381 . . . . 0.0 110.946 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.38 -47.42 82.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.851 0.357 . . . . 0.0 110.46 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.441 HD21 ' HB3' ' A' ' 55' ' ' ALA . 82.7 mt -71.27 -25.51 62.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.772 178.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.33 -38.62 84.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.15 0.5 . . . . 0.0 110.446 176.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.445 ' HB2' ' NH2' ' A' ' 22' ' ' ARG . 75.7 t80 -80.79 -44.0 19.24 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.885 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -145.7 89.67 6.13 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 120.885 0.374 . . . . 0.0 110.299 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -66.66 -5.2 12.49 Favored 'Trans proline' 0 N--CA 1.472 0.255 0 C-N-CA 123.252 2.634 . . . . 0.0 113.547 -173.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.5 m -98.95 55.36 1.02 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.329 0.585 . . . . 0.0 110.693 -177.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.422 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 11.0 t80 -121.93 90.58 3.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.541 173.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.596 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 3.0 m -50.55 -34.36 25.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.849 -1.069 . . . . 0.0 113.403 -173.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.422 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 42.3 t -62.6 -38.71 82.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.881 0.372 . . . . 0.0 110.935 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.441 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -72.78 -28.26 62.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.753 -175.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.596 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 39.9 m0 -59.97 -49.85 76.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.959 0.409 . . . . 0.0 110.559 -177.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.477 ' HB3' HD21 ' A' ' 95' ' ' LEU . 9.9 pttp -67.78 -33.03 74.03 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 178.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.689 ' CE3' ' HD3' ' A' ' 61' ' ' LYS . 41.1 m95 -58.38 -45.83 87.54 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 110.681 -0.118 . . . . 0.0 110.681 176.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.1 mt -55.61 -49.75 71.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.416 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.03 -47.61 89.93 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 121.158 -0.544 . . . . 0.0 113.166 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.689 ' HD3' ' CE3' ' A' ' 58' ' ' TRP . 14.7 ptmm? -69.95 -24.79 63.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.89 0.376 . . . . 0.0 110.606 -177.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.2 m -74.91 -37.83 61.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.125 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.72 -31.28 72.19 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -178.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -62.13 -47.68 83.5 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.16 -16.04 79.28 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.128 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.72 ' HG3' HD11 ' A' ' 39' ' ' LEU . 26.0 tm0? -71.91 -26.86 62.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.76 -20.88 5.1 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.418 176.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -97.25 83.68 3.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.283 0.563 . . . . 0.0 110.418 -175.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.462 ' H ' ' HG2' ' A' ' 69' ' ' ARG . 2.9 ptm180 -65.33 -41.28 94.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.467 -178.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.39 -36.69 79.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.849 0.357 . . . . 0.0 110.568 176.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.86 -36.08 91.68 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.106 177.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.11 -49.19 77.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 110.418 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.471 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 54.0 ttp85 -57.9 -48.27 80.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.446 177.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -60.64 -38.99 86.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.251 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.83 95.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.57 ' CD1' HD22 ' A' ' 95' ' ' LEU . 13.3 m0 -66.62 -35.95 81.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.514 178.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 73' ' ' ARG . 46.3 mt-10 -61.01 -42.17 97.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.15 0.5 . . . . 0.0 110.119 176.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.6 t -68.35 -46.28 70.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.564 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.39 -28.26 73.63 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.387 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.443 HD11 HG13 ' A' ' 92' ' ' VAL . 12.9 tp -62.1 -53.47 54.99 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 120.668 0.271 . . . . 0.0 110.277 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.07 -33.16 71.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.913 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.24 -43.49 91.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.158 0.504 . . . . 0.0 109.9 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.561 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -69.27 -38.56 78.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.657 178.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.524 HE21 ' HA ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -61.9 -45.73 92.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.512 177.089 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 t -61.52 -39.84 92.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.041 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.48 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 0.1 OUTLIER -76.64 -15.18 59.88 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.37 179.618 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.35 21.56 75.13 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.268 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.433 ' OD2' ' HB3' ' A' ' 86' ' ' ARG . 29.3 m-20 -85.61 80.03 9.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.284 0.564 . . . . 0.0 110.131 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -56.52 -39.59 73.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.388 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.447 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 43.7 tt0 -56.13 -47.02 78.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.077 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.57 HG21 ' HB3' ' A' ' 53' ' ' SER . 58.3 t -69.05 -37.66 77.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.074 -176.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.443 HG13 HD11 ' A' ' 80' ' ' LEU . 96.9 t -58.17 -48.71 83.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.276 176.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.446 ' O ' HG23 ' A' ' 97' ' ' VAL . 74.9 mmtt -61.8 -42.23 98.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.36 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 45.8 mt-10 -58.84 -48.32 81.76 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.876 0.369 . . . . 0.0 110.69 177.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.57 HD22 ' CD1' ' A' ' 76' ' ' TRP . 81.3 mt -66.74 -37.18 84.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.396 -178.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.681 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 13.9 mm100 -57.16 -39.92 76.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.2 178.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 93' ' ' LYS . 74.1 t -60.77 -46.68 95.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 120.666 0.269 . . . . 0.0 110.655 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -66.06 -41.95 90.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.004 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' A' ' 76' ' ' TRP . 67.4 mt -59.22 -34.68 72.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.713 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.681 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 57.5 mtm180 -69.09 -47.56 64.91 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 121.763 0.792 . . . . 0.0 110.068 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 101' ' ' ARG . 21.7 ttt180 -67.02 -37.27 83.83 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.306 -1.315 . . . . 0.0 111.145 -178.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.81 -40.65 95.56 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.42 -31.89 68.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.974 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 57.9 mtp180 -67.09 -28.93 68.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -75.2 -40.8 58.98 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.048 0.452 . . . . 0.0 110.124 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -59.99 -43.54 95.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.099 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.249 179.899 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.455 ' O ' HD23 ' A' ' 8' ' ' LEU . 50.3 mm . . . . . 0 N--CA 1.462 0.171 0 CA-C-O 120.88 0.371 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.79 -42.65 79.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.859 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -57.14 -50.76 71.82 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -74.2 -32.8 63.2 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.038 -176.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.506 HD12 ' HB2' ' A' ' 21' ' ' LEU . 4.4 mm? -66.19 -45.47 80.72 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.006 175.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.62 -33.0 74.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.474 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.65 -49.61 62.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.357 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.9 ptm -71.02 -26.09 62.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.963 0.411 . . . . 0.0 110.831 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.9 tp -59.6 -38.26 80.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.652 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.09 -34.27 70.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.301 -0.863 . . . . 0.0 113.03 -173.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -88.29 14.53 9.27 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.696 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.47 50.24 2.41 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.997 175.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.511 ' O ' HD21 ' A' ' 21' ' ' LEU . 6.9 m -113.85 75.96 0.96 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 173.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -112.46 104.14 12.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.795 -171.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.573 ' OD1' ' HG ' ' A' ' 21' ' ' LEU . 31.3 p30 -148.38 174.08 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.705 178.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.538 ' HG3' ' HB3' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -77.61 -20.42 53.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.941 -177.112 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 tt -63.98 -57.05 10.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.475 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.573 ' HG ' ' OD1' ' A' ' 18' ' ' ASN . 3.0 pp -73.64 -21.85 60.16 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.449 -177.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 18' ' ' ASN . 70.0 mtt180 -70.48 -37.64 74.28 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.01 174.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -68.93 -46.51 68.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.074 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.555 HG22 ' HA ' ' A' ' 21' ' ' LEU . 13.0 t -60.45 -34.19 73.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.657 0.265 . . . . 0.0 111.026 -177.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.9 mt -71.11 -46.78 61.04 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.473 ' HA2' ' CD2' ' A' ' 29' ' ' TYR . . . -61.75 -42.1 99.7 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.61 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -58.79 -38.67 79.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.705 0.288 . . . . 0.0 110.683 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.1 m -65.48 -35.28 80.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.685 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.624 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 18.9 m-85 -67.95 -42.47 80.9 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 175.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.88 -38.8 89.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.879 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.9 -23.64 66.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.078 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -101.32 14.75 30.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.954 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.423 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 29.9 tt0 65.53 22.53 11.8 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.689 176.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.624 ' HB2' ' HB3' ' A' ' 29' ' ' TYR . 47.9 mt-30 -87.57 45.82 1.31 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.302 0.573 . . . . 0.0 109.478 176.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.52 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 79.9 m-85 -59.97 -31.9 70.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.4 -172.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -59.74 -42.97 94.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.217 0.532 . . . . 0.0 110.427 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.68 -37.02 62.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.077 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.36 -38.47 71.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.095 -176.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.483 ' HB3' ' HD3' ' A' ' 40' ' ' PRO . 3.3 tt -50.52 -54.77 31.75 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -172.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' A' ' 39' ' ' LEU . 55.9 Cg_endo -71.14 -30.86 15.52 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 121.517 1.478 . . . . 0.0 112.173 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -71.58 -40.65 69.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.102 0.477 . . . . 0.0 110.29 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.5 mt -72.27 -40.61 67.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.924 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -58.6 -43.74 89.66 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.5 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.85 81.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.252 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.36 94.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.511 HD21 ' HB3' ' A' ' 55' ' ' ALA . 48.8 mt -68.72 -26.78 65.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.122 178.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.86 -36.92 70.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.151 0.5 . . . . 0.0 110.014 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -70.85 -44.51 66.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.337 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.538 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 10.5 t70 -149.07 88.85 5.01 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.938 0.399 . . . . 0.0 110.774 -176.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.07 -5.59 9.66 Favored 'Trans proline' 0 N--CA 1.474 0.334 0 C-N-CA 123.427 2.751 . . . . 0.0 113.686 -175.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.43 6.52 19.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.836 0.351 . . . . 0.0 111.916 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -83.51 81.87 8.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.946 0.403 . . . . 0.0 109.916 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.491 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 2.3 m -54.79 -38.27 67.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.28 -176.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.3 t -62.19 -35.59 69.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.109 0.48 . . . . 0.0 110.589 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.511 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -68.71 -30.07 68.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.467 -177.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.491 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 23.8 m0 -60.51 -47.09 87.68 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.813 0.816 . . . . 0.0 109.431 177.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 1.023 ' HA ' HD21 ' A' ' 95' ' ' LEU . 86.9 tttt -65.35 -43.16 91.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.326 -176.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.475 ' HA ' ' HD3' ' A' ' 61' ' ' LYS . 65.5 m95 -75.06 -28.9 60.56 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 55' ' ' ALA . 2.1 tm? -58.96 -50.96 72.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.327 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.33 -39.22 94.43 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.311 179.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.475 ' HD3' ' HA ' ' A' ' 58' ' ' TRP . 27.5 mtpp -61.29 -36.18 79.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.143 0.497 . . . . 0.0 110.563 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.52 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 25.3 m -69.57 -40.13 76.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.834 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.435 HD23 HD13 ' A' ' 59' ' ' LEU . 3.4 mm? -62.08 -39.66 93.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.121 177.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -66.43 -37.08 84.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.08 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.04 -24.46 62.99 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.379 176.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -34.03 62.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.05 -26.16 4.79 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.64 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -88.96 96.59 10.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.453 0.644 . . . . 0.0 110.49 -176.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 69' ' ' ARG . 17.5 ptt-85 -65.33 -24.24 67.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.065 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.66 94.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.36 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.48 -33.64 63.94 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.443 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.57 -50.99 71.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.616 0.245 . . . . 0.0 110.79 177.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -65.78 -37.85 87.44 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.455 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -44.07 86.28 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.138 0.494 . . . . 0.0 109.847 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.36 89.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.256 178.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.609 ' CD1' HD22 ' A' ' 95' ' ' LEU . 14.5 m0 -65.89 -41.6 91.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.372 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.8 -37.16 85.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.777 0.323 . . . . 0.0 110.924 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.2 m -70.22 -46.73 63.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.406 177.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.09 -29.19 74.73 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.183 178.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 tp -61.22 -50.62 72.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.136 0.493 . . . . 0.0 109.727 176.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.38 -31.93 73.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.702 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.64 86.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.012 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.24 92.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.586 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -62.04 -44.12 97.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.934 175.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.6 t -61.6 -33.04 73.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.822 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.481 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 2.9 mmp_? -84.74 -15.26 45.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.786 0.326 . . . . 0.0 111.764 178.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.66 30.98 34.32 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.745 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -105.18 83.65 2.0 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.016 0.436 . . . . 0.0 111.064 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -59.2 -35.01 72.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.911 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.561 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 39.0 tt0 -56.18 -47.66 77.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 45.9 t -68.55 -37.96 78.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.14 -176.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.5 t -58.5 -45.12 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.429 177.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 97' ' ' VAL . 57.6 mtmt -66.91 -41.3 87.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.097 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 76.0 mt-10 -63.75 -49.4 73.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.866 0.365 . . . . 0.0 111.317 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 1.023 HD21 ' HA ' ' A' ' 57' ' ' LYS . 23.9 mt -67.25 -31.95 72.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.457 -178.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -60.04 -34.09 72.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.762 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.568 ' HA ' ' HG3' ' A' ' 100' ' ' ARG . 64.5 t -59.55 -39.46 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 120.791 0.329 . . . . 0.0 110.853 -177.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -64.76 -42.65 94.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.956 0.408 . . . . 0.0 109.919 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.06 -31.67 72.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.654 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.568 ' HG3' ' HA ' ' A' ' 97' ' ' VAL . 1.4 mtp180 -63.8 -47.79 79.47 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 120.999 0.428 . . . . 0.0 110.3 -179.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -72.97 -36.64 67.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.373 178.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.415 ' HA ' HD22 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -58.33 -45.01 88.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.972 179.454 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.37 -32.27 73.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.074 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 78.6 mtp180 -68.39 -47.03 68.41 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 177.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -62.91 -39.8 95.64 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.09 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -69.6 -46.25 66.71 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.919 0.39 . . . . 0.0 110.544 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.735 -179.188 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.494 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 50.7 mm . . . . . 0 N--CA 1.462 0.128 0 CA-C-O 120.975 0.417 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.571 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -57.65 -36.04 71.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.076 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -66.6 -46.33 76.26 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -176.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -67.18 -31.59 72.09 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.009 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.629 ' O ' ' HG2' ' A' ' 11' ' ' MET . 96.2 mt -65.24 -41.57 94.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.465 175.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 5' ' ' THR . 50.6 mt-10 -62.15 -40.26 95.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.117 0.484 . . . . 0.0 110.544 175.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.66 -41.72 83.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.878 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.629 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 20.9 ptm -62.66 -25.77 68.31 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 111.512 0.189 . . . . 0.0 111.512 -176.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.411 HD11 HD21 ' A' ' 21' ' ' LEU . 8.6 mp -60.09 -44.48 94.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.92 0.39 . . . . 0.0 110.52 174.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.87 -6.9 54.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.049 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -92.49 3.66 55.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.53 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.17 58.82 2.39 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.851 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.0 m -153.24 103.51 2.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.771 0.32 . . . . 0.0 110.574 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -136.0 115.85 13.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.107 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.461 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 60.3 m-80 -132.81 165.26 24.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.351 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -63.96 -47.91 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 tp -60.83 -30.97 70.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.91 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.411 HD21 HD11 ' A' ' 12' ' ' LEU . 9.3 tt -66.52 -47.9 71.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.963 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.472 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 41.4 mtt180 -63.02 -36.23 82.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.041 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -66.68 -40.41 88.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.386 175.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.6 m -60.57 -37.13 80.29 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.558 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.554 ' O ' ' HD2' ' A' ' 29' ' ' TYR . 90.0 mt -61.41 -50.04 74.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.211 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.43 -43.19 97.65 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.093 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -57.45 -49.27 76.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.938 0.399 . . . . 0.0 110.735 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.0 m -64.64 -42.08 95.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.39 -176.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.554 ' HD2' ' O ' ' A' ' 25' ' ' LEU . 42.0 m-85 -64.73 -40.09 94.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.726 177.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.17 -40.8 90.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.402 . . . . 0.0 110.839 -178.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -65.24 -25.99 67.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.873 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -92.41 10.42 30.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.46 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 68.72 16.54 8.95 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.548 0.689 . . . . 0.0 110.779 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -91.16 46.28 1.3 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.212 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -50.37 -45.11 54.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.419 -0.809 . . . . 0.0 112.636 -172.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -60.15 -45.39 93.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.144 0.497 . . . . 0.0 110.761 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.9 -27.47 64.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.399 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.04 -37.87 84.85 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.987 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.4 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 97.6 mt -51.86 -54.31 41.69 Favored Pre-proline 0 CA--C 1.541 0.599 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -173.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 22.4 Cg_endo -62.86 -31.34 77.83 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 122.051 1.834 . . . . 0.0 112.34 -178.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -71.97 -39.73 69.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.921 0.391 . . . . 0.0 110.399 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.2 mt -71.0 -42.06 70.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.387 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -64.67 -32.55 74.26 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.226 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.3 94.8 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.006 0.431 . . . . 0.0 110.51 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 22' ' ' ARG . . . -68.43 -46.3 70.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.557 177.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.443 HD21 ' HB3' ' A' ' 55' ' ' ALA . 88.8 mt -66.87 -25.46 66.42 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.554 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -58.88 -45.92 89.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.114 0.483 . . . . 0.0 110.37 177.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -81.43 -44.46 17.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.189 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -139.02 88.19 13.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 121.198 0.523 . . . . 0.0 110.507 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.76 -2.96 12.23 Favored 'Trans proline' 0 CA--C 1.526 0.123 0 C-N-CA 123.106 2.538 . . . . 0.0 113.23 -177.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.61 15.74 2.01 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -170.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -92.64 96.69 10.34 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.004 -0.435 . . . . 0.0 110.496 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.837 ' HB3' HG21 ' A' ' 91' ' ' VAL . 15.5 m -55.59 -38.25 69.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.825 -174.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.3 t -58.15 -37.09 60.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 120.891 0.377 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.443 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -66.9 -28.99 68.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.04 -178.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.611 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 13.9 m0 -70.03 -44.74 68.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.392 0.615 . . . . 0.0 109.509 179.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.78 ' HA ' HD21 ' A' ' 95' ' ' LEU . 79.2 tttt -65.15 -39.1 92.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.966 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -74.74 -28.64 60.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.926 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -56.57 -50.75 71.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 110.482 -177.506 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.26 -41.07 99.66 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.033 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -61.51 -38.23 86.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.94 0.4 . . . . 0.0 111.366 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 49.9 m -64.55 -44.74 89.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.092 -178.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.1 -33.72 73.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.109 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -40.27 85.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.343 . . . . 0.0 110.243 175.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.04 -37.98 94.87 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.954 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -68.21 -23.17 64.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.143 0.496 . . . . 0.0 110.331 177.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.84 26.25 8.6 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.894 -0.67 . . . . 0.0 113.441 172.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -113.29 101.31 9.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.452 0.644 . . . . 0.0 110.245 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -62.58 -45.92 90.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.754 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' ' 73' ' ' ARG . . . -62.64 -44.02 97.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 111.652 -177.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.55 -38.07 93.08 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.847 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.4 -47.63 81.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.536 0.208 . . . . 0.0 111.253 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.663 ' HB3' HD21 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -65.07 -43.22 92.93 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.558 -177.777 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -68.94 -33.58 73.95 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.497 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.42 88.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.358 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 4.6 m0 -66.96 -41.77 86.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.447 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.95 -40.38 93.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.007 0.432 . . . . 0.0 110.406 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 m -71.36 -41.34 69.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.444 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.46 -33.15 83.88 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.177 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.76 -48.58 80.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.119 0.485 . . . . 0.0 109.742 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.85 -31.36 72.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.131 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.49 84.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.095 0.474 . . . . 0.0 110.003 175.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.583 ' HA ' ' CZ3' ' A' ' 56' ' ' TRP . . . -65.6 -40.73 92.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.831 177.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.26 -43.19 99.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.308 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.7 t -60.19 -40.19 89.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.731 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.734 ' HD2' ' HB2' ' A' ' 88' ' ' ASP . 2.0 tmt_? -76.08 -14.34 60.2 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 122.993 0.517 . . . . 0.0 111.031 177.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.6 19.58 74.87 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.944 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.734 ' HB2' ' HD2' ' A' ' 86' ' ' ARG . 32.0 t0 -86.6 78.4 9.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.619 0.723 . . . . 0.0 109.535 -175.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -61.47 -33.99 74.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.923 -1.035 . . . . 0.0 112.215 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -57.14 -45.84 83.2 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.528 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.837 HG21 ' HB3' ' A' ' 53' ' ' SER . 72.0 t -72.19 -36.66 56.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.86 178.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.556 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 71.2 t -56.46 -47.37 81.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -61.48 -35.96 79.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.149 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -68.19 -44.74 75.18 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.878 0.37 . . . . 0.0 110.707 177.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.78 HD21 ' HA ' ' A' ' 57' ' ' LYS . 48.5 mt -65.64 -36.1 82.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.439 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' A' ' 92' ' ' VAL . 18.6 mm-40 -56.44 -34.75 67.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.953 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 58.3 t -61.35 -41.15 88.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.955 0.407 . . . . 0.0 110.514 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.411 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 71.7 m-85 -67.3 -32.89 74.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.084 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 99' ' ' LEU . 4.1 mm? -64.38 -37.03 86.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.605 177.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.535 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 39.4 mtt180 -69.36 -45.16 70.03 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.875 0.845 . . . . 0.0 108.84 178.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -55.36 -47.51 75.64 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 113.816 -1.538 . . . . 0.0 110.419 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' A' ' 73' ' ' ARG . 41.5 tp -69.68 -41.3 75.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.421 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.23 73.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.31 -0.404 . . . . 0.0 112.045 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 46.3 mtp180 -62.14 -29.67 70.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.694 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -76.4 -47.83 21.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.219 0.533 . . . . 0.0 111.185 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -64.49 -47.28 79.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.851 -173.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.73 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.319 -177.652 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.591 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 51.2 mm . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 121.0 0.429 . . . . 0.0 110.608 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 p -65.44 -39.89 92.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.956 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -71.18 -36.27 71.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.586 -175.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -69.54 -31.49 69.74 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.352 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 96.4 mt -62.52 -41.92 99.18 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.849 0.357 . . . . 0.0 110.247 175.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -61.23 -40.56 94.46 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.751 175.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -64.73 -49.5 70.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.474 -179.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.0 ptm -68.09 -29.96 69.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.731 0.3 . . . . 0.0 110.978 -177.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -64.54 -43.34 94.29 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 176.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.08 -7.56 54.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.658 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 28.8 mm-40 -83.33 -3.41 57.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 111.024 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.59 34.3 4.47 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.333 176.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.4 m -128.0 87.38 2.6 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.041 0.448 . . . . 0.0 109.84 173.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.24 146.12 30.61 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.463 ' HB3' ' HB3' ' A' ' 21' ' ' LEU . 4.9 t-20 -148.2 178.09 8.85 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -176.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -102.65 -61.39 1.4 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.01 -35.8 80.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.886 -177.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.463 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . 2.4 tm? -58.14 -47.69 82.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.626 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.41 ' HD3' HH11 ' A' ' 22' ' ' ARG . 12.1 ptp180 -71.54 -30.37 65.81 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.573 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -69.7 -49.94 48.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.757 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.2 t -66.16 -33.25 75.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.681 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tt -56.7 -50.04 73.36 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 177.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.6 -38.76 61.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.089 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -58.49 -36.92 74.52 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 122.443 0.297 . . . . 0.0 111.261 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.6 m -61.01 -35.97 78.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.729 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -66.02 -43.45 87.59 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 176.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.47 98.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.768 -178.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -63.18 -34.87 78.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.267 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -90.7 19.14 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.217 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.465 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 31.0 tt0 72.3 15.86 5.21 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.433 0.635 . . . . 0.0 111.863 172.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -103.43 46.74 0.91 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.465 ' CE1' ' HA ' ' A' ' 33' ' ' GLU . 95.6 m-85 -50.84 -33.71 24.88 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 114.743 -1.117 . . . . 0.0 112.273 -175.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -53.4 -40.0 64.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.393 0.616 . . . . 0.0 111.358 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.6 -26.55 59.99 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.177 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.66 -36.95 76.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.571 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.424 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 6.7 mp -48.75 -54.33 28.41 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -172.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 21.8 Cg_endo -62.85 -36.71 59.75 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 121.821 1.681 . . . . 0.0 112.901 -178.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -71.99 -42.48 66.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.621 -177.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mp -65.0 -40.56 95.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.79 0.329 . . . . 0.0 110.821 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -68.51 -31.32 70.49 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.884 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.92 -31.13 68.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.875 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.28 -35.41 76.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.303 0.573 . . . . 0.0 110.103 174.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.431 HD11 HD11 ' A' ' 59' ' ' LEU . 97.1 mt -64.32 -24.11 67.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.978 177.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -58.99 -45.2 91.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.179 0.514 . . . . 0.0 110.624 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -81.03 -40.13 24.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.413 -178.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -143.41 87.41 8.46 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 120.773 0.321 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -70.45 -8.65 24.11 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.362 2.041 . . . . 0.0 111.575 179.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.602 ' HA ' ' HZ2' ' A' ' 56' ' ' TRP . 10.3 p -97.94 16.81 19.84 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.15 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -77.76 89.17 4.01 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.745 ' HB3' HG21 ' A' ' 91' ' ' VAL . 2.2 m -49.49 -36.29 22.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.151 -0.931 . . . . 0.0 112.609 -175.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.4 t -62.78 -37.54 79.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.962 0.41 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.586 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -68.94 -35.92 77.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.205 -177.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.602 ' HZ2' ' HA ' ' A' ' 51' ' ' THR . 29.0 m0 -57.22 -45.2 84.06 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.478 0.656 . . . . 0.0 109.917 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 1.027 ' HA ' HD21 ' A' ' 95' ' ' LEU . 61.7 tttt -65.28 -36.49 84.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.656 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -75.34 -30.77 60.35 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 78.4 mt -56.1 -49.98 72.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.856 0.36 . . . . 0.0 111.31 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.568 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -58.82 -44.1 96.15 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.662 178.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -65.98 -30.66 71.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.714 0.292 . . . . 0.0 111.352 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.449 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . 45.7 m -69.32 -44.23 72.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.723 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.9 mt -68.62 -31.96 71.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.955 0.407 . . . . 0.0 110.837 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -68.62 -30.47 69.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.645 174.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.84 -25.73 64.1 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.764 -0.732 . . . . 0.0 111.756 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -70.88 -48.95 51.01 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.18 24.26 2.49 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.499 -0.857 . . . . 0.0 113.257 175.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -114.37 105.4 13.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.452 0.644 . . . . 0.0 110.736 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.563 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 25.6 ttp180 -62.5 -44.28 96.76 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.848 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.78 -45.1 83.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.668 0.271 . . . . 0.0 111.719 -176.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.45 -39.89 95.97 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.885 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.47 86.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.456 0.17 . . . . 0.0 111.446 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' ' 69' ' ' ARG . 1.8 ptm180 -65.17 -42.63 93.49 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.928 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -66.91 -38.06 85.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.696 0.284 . . . . 0.0 110.689 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.11 -43.32 98.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.742 177.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.632 ' CD1' HD22 ' A' ' 95' ' ' LEU . 8.0 m0 -63.66 -40.62 97.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.937 178.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 73' ' ' ARG . 45.9 mm-40 -61.02 -40.05 92.08 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.871 0.367 . . . . 0.0 110.53 175.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.5 m -67.2 -45.77 75.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.537 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.28 -34.32 80.06 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.12 -0.562 . . . . 0.0 111.944 178.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 76' ' ' TRP . 10.7 tp -61.06 -52.31 65.5 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 178.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.92 -31.82 72.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.128 178.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 86' ' ' ARG . . . -65.09 -46.12 82.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.842 176.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.402 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -68.88 -36.97 78.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.858 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.708 HE21 HG21 ' A' ' 92' ' ' VAL . 21.1 mm-40 -59.0 -46.89 87.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.29 174.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.4 t -67.05 -39.29 86.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.147 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.52 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -76.34 -14.61 60.09 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.596 -177.117 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.99 17.51 74.49 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.577 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -93.63 80.69 4.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.143 0.496 . . . . 0.0 110.274 -178.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -55.96 -41.55 74.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.112 -178.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -56.13 -42.74 77.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.048 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.745 HG21 ' HB3' ' A' ' 53' ' ' SER . 48.2 t -68.34 -38.23 79.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.326 -179.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.708 HG21 HE21 ' A' ' 84' ' ' GLN . 78.4 t -58.51 -49.4 82.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.499 176.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.532 ' O ' HG23 ' A' ' 97' ' ' VAL . 69.5 mmtt -65.77 -38.24 88.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.824 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.87 -49.4 77.89 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 120.606 0.241 . . . . 0.0 111.564 175.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 1.027 HD21 ' HA ' ' A' ' 57' ' ' LYS . 81.4 mt -68.96 -33.99 74.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.573 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 50.4 tt0 -57.2 -42.27 80.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.833 177.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 93' ' ' LYS . 89.5 t -60.92 -42.17 91.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.764 0.316 . . . . 0.0 111.032 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -66.99 -35.27 79.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.903 0.382 . . . . 0.0 110.976 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 96' ' ' GLN . 88.0 mt -61.22 -36.35 79.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.525 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.573 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 16.3 mmm180 -70.98 -46.93 61.48 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-O 121.249 0.547 . . . . 0.0 109.884 -178.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.6 ttp85 -53.88 -46.76 71.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.573 175.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.23 -42.28 98.34 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.21 -33.12 75.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.549 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 54.9 mtt180 -64.16 -46.35 84.42 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.15 0.5 . . . . 0.0 110.168 176.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.51 -33.55 64.82 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.004 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -63.46 -46.98 83.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.182 174.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.581 -178.479 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 59.6 mt . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 121.191 0.52 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -34.12 66.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.554 -178.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -64.52 -45.75 85.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.31 -176.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -73.42 -32.8 64.63 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.7 0.286 . . . . 0.0 110.563 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.56 -40.81 89.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.878 0.371 . . . . 0.0 110.248 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.477 ' HA ' HD13 ' A' ' 12' ' ' LEU . 43.5 tt0 -66.62 -32.63 74.08 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.554 177.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.78 -30.05 71.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.031 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 86.6 mtp -63.31 -30.12 71.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.354 -178.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 9' ' ' GLU . 10.5 mp -59.0 -39.5 82.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.149 0.499 . . . . 0.0 110.647 178.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.4 -13.84 61.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.025 -178.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -86.45 -5.27 59.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.643 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.55 -27.32 15.53 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.855 -0.688 . . . . 0.0 113.28 175.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.9 m -86.12 79.46 9.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.653 0.74 . . . . 0.0 110.89 -176.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.635 ' HA ' HD21 ' A' ' 21' ' ' LEU . 31.8 t70 -142.6 113.46 7.51 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.638 172.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -135.04 -76.95 0.45 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.965 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.8 tpt -145.4 -57.3 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.78 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.598 HD13 ' HE1' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -77.01 71.51 3.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.314 0.578 . . . . 0.0 110.461 -173.012 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.635 HD21 ' HA ' ' A' ' 17' ' ' ASP . 3.7 pp -175.14 -33.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.433 175.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -73.11 -16.35 61.46 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.748 -175.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.598 ' HE1' HD13 ' A' ' 20' ' ' LEU . 22.1 p90 -69.96 -33.58 72.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.021 0.439 . . . . 0.0 110.34 177.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.6 m -66.94 -33.92 76.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.161 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.2 mt -60.55 -44.25 96.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.726 174.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.412 ' HA2' ' HD2' ' A' ' 29' ' ' TYR . . . -58.85 -43.26 96.72 Favored Glycine 0 C--N 1.333 0.401 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.89 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HG2' ' CZ2' ' A' ' 58' ' ' TRP . 92.9 mttt -56.68 -49.04 76.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.338 0.589 . . . . 0.0 110.487 175.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.3 m -63.4 -35.59 80.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.276 -175.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.412 ' HD2' ' HA2' ' A' ' 26' ' ' GLY . 29.1 m-85 -62.44 -47.23 84.98 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 175.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.05 87.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.418 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.39 -30.15 70.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -88.99 4.92 46.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.066 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 64.37 26.03 13.51 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.248 0.547 . . . . 0.0 111.282 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -98.69 45.94 1.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.609 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -52.59 -39.79 61.98 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.403 -173.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -54.84 -41.46 70.77 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.415 0.626 . . . . 0.0 111.098 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.505 ' O ' ' HD2' ' A' ' 41' ' ' HIS . . . -73.58 -27.41 61.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.95 -177.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.2 -38.25 78.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.371 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.403 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 8.2 mp -51.08 -54.82 33.63 Favored Pre-proline 0 N--CA 1.472 0.629 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -173.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 18.5 Cg_endo -61.45 -38.66 61.91 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 121.738 1.625 . . . . 0.0 112.602 -179.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.505 ' HD2' ' O ' ' A' ' 37' ' ' ALA . 93.8 m-70 -71.93 -39.65 69.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.014 -177.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.7 mt -71.1 -38.8 72.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.729 0.299 . . . . 0.0 110.85 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.1 tpt180 -63.21 -36.74 84.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.272 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.79 -43.33 68.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.081 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.8 -47.34 86.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.1 0.476 . . . . 0.0 110.998 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.401 HD21 ' HB3' ' A' ' 55' ' ' ALA . 82.6 mt -67.31 -24.32 65.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.121 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -69.58 -34.6 74.38 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.879 0.371 . . . . 0.0 110.405 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -81.5 -44.19 17.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.003 177.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -142.98 86.84 9.06 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.066 0.46 . . . . 0.0 110.293 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.55 -6.31 18.81 Favored 'Trans proline' 0 N--CA 1.475 0.407 0 C-N-CA 123.21 2.607 . . . . 0.0 113.783 -172.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.464 ' HA ' ' HZ2' ' A' ' 56' ' ' TRP . 11.9 t -96.14 14.18 24.81 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.778 0.323 . . . . 0.0 111.286 -175.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.512 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 25.1 t80 -75.4 91.31 2.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.125 0.488 . . . . 0.0 109.941 176.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.65 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 1.6 m -48.8 -36.8 17.5 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.311 1.044 . . . . 0.0 113.661 -174.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.512 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 54.9 t -60.53 -40.28 83.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.878 0.37 . . . . 0.0 110.738 -178.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.401 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -68.93 -28.3 66.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.723 -176.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.65 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 43.2 m0 -58.08 -45.6 86.88 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.232 0.539 . . . . 0.0 110.516 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -64.8 -45.34 86.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.27 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.499 ' HD1' ' O ' ' A' ' 54' ' ' VAL . 87.4 m95 -67.47 -42.63 82.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.146 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.23 -49.52 75.75 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.05 -37.52 93.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.62 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -70.28 -24.3 63.02 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-O 120.805 0.336 . . . . 0.0 111.008 -177.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 84.9 m -58.7 -38.64 78.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.986 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.06 -42.46 94.57 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.912 177.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.47 -44.41 97.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.405 177.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.68 -27.15 73.62 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.325 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -78.03 -37.31 47.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.827 0.346 . . . . 0.0 110.233 177.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.9 -0.83 7.26 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.433 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -95.72 89.69 5.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.132 0.492 . . . . 0.0 110.277 -179.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.666 ' HD3' ' HB3' ' A' ' 105' ' ' GLU . 5.5 ptp85 -65.94 -33.67 76.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.056 178.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.01 -47.13 69.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.309 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.48 -37.87 94.84 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.927 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.16 -46.9 85.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.611 0.243 . . . . 0.0 110.747 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -58.62 -50.46 73.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.62 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -64.71 -37.14 86.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.057 -177.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.06 -44.15 80.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.056 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.55 ' HB3' HD21 ' A' ' 99' ' ' LEU . 21.5 m0 -67.52 -37.02 82.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.446 -178.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -61.83 -37.79 85.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.111 0.481 . . . . 0.0 110.384 175.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.4 t -72.6 -40.41 66.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.233 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.78 -31.26 67.54 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.504 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.4 tp -60.98 -50.86 71.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.033 0.444 . . . . 0.0 110.275 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.05 -33.44 73.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.104 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.97 -47.53 77.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.903 0.383 . . . . 0.0 110.002 176.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.638 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -64.57 -41.12 96.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.707 178.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -59.83 -47.75 84.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.0 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.0 t -61.97 -39.41 92.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.506 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 13.2 mmt180 -86.76 -11.57 50.67 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -177.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.09 21.15 57.82 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.643 -0.789 . . . . 0.0 113.042 175.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.16 75.18 9.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.816 0.817 . . . . 0.0 109.683 175.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -60.75 -38.62 85.79 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.256 -1.338 . . . . 0.0 111.763 -174.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.653 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 32.0 tt0 -55.93 -48.15 76.24 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.56 177.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.82 -37.98 81.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.559 -176.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 65.1 t -57.96 -53.17 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.306 177.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.44 ' HD3' ' OE1' ' A' ' 96' ' ' GLN . 74.0 mmtt -66.3 -30.91 71.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.932 -177.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.653 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 49.2 mt-10 -67.88 -47.15 69.67 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.721 0.296 . . . . 0.0 110.548 176.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.0 mt -66.35 -37.16 84.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.461 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.44 ' OE1' ' HD3' ' A' ' 93' ' ' LYS . 48.5 mt-30 -57.78 -31.03 66.14 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 179.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 96.9 t -61.85 -43.93 98.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-O 121.175 0.512 . . . . 0.0 110.415 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -67.35 -38.17 84.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.093 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.55 HD21 ' HB3' ' A' ' 76' ' ' TRP . 3.9 mm? -57.55 -34.4 69.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.845 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.405 ' HD2' HH11 ' A' ' 100' ' ' ARG . 9.5 mtm180 -66.93 -47.36 71.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.292 0.568 . . . . 0.0 110.405 -179.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 101' ' ' ARG . 36.0 ttp180 -71.82 -35.13 69.83 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.566 -177.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.436 ' HG ' ' HZ3' ' A' ' 76' ' ' TRP . 3.3 tm? -65.39 -36.92 85.43 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.076 177.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.43 -30.78 61.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.37 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -56.19 -45.31 79.84 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.667 0.27 . . . . 0.0 110.739 -178.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.666 ' HB3' ' HD3' ' A' ' 69' ' ' ARG . 40.1 mt-10 -63.5 -42.41 98.52 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.114 0.483 . . . . 0.0 110.967 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -72.2 -45.97 58.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.376 -177.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.7 -177.697 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.5 mm . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 121.426 0.631 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -55.9 -47.1 78.04 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.805 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -67.91 -41.84 82.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.734 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.588 ' O ' ' HG3' ' A' ' 11' ' ' MET . 5.8 ppt_? -72.56 -31.19 65.07 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.349 -175.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.651 ' HB2' HD21 ' A' ' 25' ' ' LEU . 67.8 mt -63.68 -50.7 68.21 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.216 -0.194 . . . . 0.0 111.104 178.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -59.66 -32.79 70.8 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.873 0.368 . . . . 0.0 111.328 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.81 -30.17 68.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.26 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.625 ' HA ' ' OE1' ' A' ' 14' ' ' GLN . 91.9 mtp -63.42 -27.56 69.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.862 -176.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.425 ' HG ' ' HA ' ' A' ' 17' ' ' ASP . 8.9 mp -63.62 -30.69 71.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.33 . . . . 0.0 110.877 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.92 -16.63 63.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.538 -177.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.625 ' OE1' ' HA ' ' A' ' 11' ' ' MET . 2.1 mp0 -78.19 4.13 13.42 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.151 178.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.79 33.32 4.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 0.0 113.307 173.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.3 m -154.46 96.6 1.92 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.982 0.42 . . . . 0.0 111.179 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.425 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 9.6 p-10 -93.29 96.1 9.77 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.749 0.785 . . . . 0.0 109.301 173.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -108.38 147.9 30.88 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.833 -176.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.72 -32.21 35.83 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.15 -172.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.7 tp -66.2 -32.93 74.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.117 0.484 . . . . 0.0 110.219 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 tt -64.32 -45.8 86.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.324 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.648 ' HG2' HD12 ' A' ' 25' ' ' LEU . 57.4 mtt180 -75.95 -17.16 59.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.579 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.43 -41.91 93.01 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 169.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.7 m -62.37 -38.99 91.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.856 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.651 HD21 ' HB2' ' A' ' 8' ' ' LEU . 34.1 mt -59.68 -46.24 89.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.544 177.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.434 ' HA2' ' HD2' ' A' ' 29' ' ' TYR . . . -58.98 -42.72 97.01 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.822 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 14.6 tmtt? -63.22 -40.27 96.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.374 -0.413 . . . . 0.0 110.57 176.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 m -69.64 -35.6 75.36 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.336 -179.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.518 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 21.7 m-85 -56.71 -46.5 81.22 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.987 0.422 . . . . 0.0 110.879 177.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.67 75.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.659 -175.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 27' ' ' LYS . 41.1 mt-10 -69.22 -33.38 73.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.015 0.436 . . . . 0.0 111.02 -178.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -93.24 12.54 24.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.525 -178.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.425 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 28.0 tt0 63.67 28.91 15.08 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.997 176.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -97.79 45.1 1.03 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.763 0.792 . . . . 0.0 109.08 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.488 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 81.7 m-85 -60.38 -32.07 70.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.735 -1.121 . . . . 0.0 112.176 -173.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.14 -45.01 96.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.353 0.597 . . . . 0.0 110.32 -177.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.5 -28.4 60.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.6 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 29' ' ' TYR . . . -68.34 -37.13 80.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.889 -178.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.576 HD11 ' HG3' ' A' ' 66' ' ' GLN . 89.3 mt -49.66 -54.39 31.81 Favored Pre-proline 0 CA--C 1.541 0.607 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -173.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 51.6 Cg_endo -71.42 -32.24 12.73 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 121.449 1.433 . . . . 0.0 111.536 178.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -66.78 -37.02 83.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.541 -177.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.44 -43.23 67.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.298 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -61.1 -38.25 85.62 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.729 0.299 . . . . 0.0 110.693 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.06 -36.47 79.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.927 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.17 81.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.737 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.5 -25.63 68.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.115 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.26 -38.76 88.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.135 0.493 . . . . 0.0 110.496 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -80.81 -43.57 19.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.645 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -145.55 87.26 7.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 120.971 0.415 . . . . 0.0 110.899 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.54 -4.98 16.29 Favored 'Trans proline' 0 N--CA 1.466 -0.126 0 C-N-CA 122.618 2.212 . . . . 0.0 112.195 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.7 p -93.3 11.65 27.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.956 -177.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.501 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 10.9 t80 -81.62 94.63 6.97 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 175.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.503 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 11.8 m -52.02 -41.02 61.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.715 -175.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.501 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 93.1 t -61.27 -36.18 71.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.934 0.397 . . . . 0.0 111.05 -179.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.06 -29.49 70.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.396 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.542 ' HH2' ' HG3' ' A' ' 86' ' ' ARG . 27.6 m0 -63.55 -45.73 89.18 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.444 0.64 . . . . 0.0 110.112 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.944 ' HA ' HD21 ' A' ' 95' ' ' LEU . 82.4 tttt -65.21 -39.21 92.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.964 -177.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -75.77 -29.65 58.85 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.67 -48.1 78.37 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 110.239 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.64 -39.14 97.52 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.051 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -66.96 -33.46 75.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.488 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 29.9 m -64.09 -43.23 96.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.515 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.24 -38.8 78.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.561 177.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -59.91 -49.65 76.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.169 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.15 -18.87 78.22 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.957 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.576 ' HG3' HD11 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -73.06 -30.69 63.89 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -178.758 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.49 -10.42 3.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.109 -1.043 . . . . 0.0 114.107 174.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -113.12 106.32 14.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.807 0.813 . . . . 0.0 111.682 -178.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.535 ' HD2' ' N ' ' A' ' 70' ' ' ALA . 1.9 ppt_? -65.29 -27.96 68.99 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.855 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.535 ' N ' ' HD2' ' A' ' 69' ' ' ARG . . . -66.96 -50.06 63.51 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.249 -173.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.07 -38.53 96.27 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.825 177.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.44 -47.98 83.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.536 0.208 . . . . 0.0 110.928 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -56.13 -50.77 70.19 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.419 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.67 -42.24 92.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.589 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.5 -47.09 87.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.34 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.556 ' CD1' HD22 ' A' ' 95' ' ' LEU . 12.3 m0 -65.27 -47.62 76.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.125 -178.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.6 -35.14 78.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.124 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.3 m -73.41 -45.91 51.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.795 0.331 . . . . 0.0 110.714 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.79 -23.68 69.31 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 121.379 -0.438 . . . . 0.0 112.725 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.9 tp -57.04 -45.02 83.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.215 0.531 . . . . 0.0 110.029 176.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.68 -31.09 71.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.123 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.01 87.27 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.41 -43.48 90.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.601 177.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -57.38 -45.6 84.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.28 174.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 t -59.02 -28.97 66.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.678 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.542 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 18.6 mmm180 -95.07 -13.61 25.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.598 0.237 . . . . 0.0 111.168 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.39 18.56 56.94 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.971 -0.633 . . . . 0.0 113.203 177.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.461 ' O ' HG23 ' A' ' 92' ' ' VAL . 4.3 m-20 -88.99 78.81 7.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.929 0.395 . . . . 0.0 111.12 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -56.93 -37.94 72.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.838 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.487 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 32.7 tt0 -56.31 -47.55 78.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.854 176.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.35 -38.54 82.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.14 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 88' ' ' ASP . 86.3 t -58.17 -44.97 88.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.324 176.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.528 ' O ' HG23 ' A' ' 97' ' ' VAL . 57.2 mtmt -67.0 -41.97 85.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 45.3 mt-10 -60.19 -48.91 79.74 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 120.887 0.375 . . . . 0.0 110.981 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.944 HD21 ' HA ' ' A' ' 57' ' ' LYS . 49.9 mt -68.88 -32.49 72.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.167 -179.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -59.89 -39.52 85.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.987 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 93' ' ' LYS . 64.9 t -59.48 -37.91 72.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.922 -177.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.45 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 92.9 m-85 -62.44 -45.63 92.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.629 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.438 HD21 ' HB2' ' A' ' 76' ' ' TRP . 89.0 mt -62.02 -33.88 75.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.964 -176.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 100' ' ' ARG . 7.5 mtm180 -68.71 -44.61 73.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.409 0.623 . . . . 0.0 110.307 -176.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -70.65 -41.31 72.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.799 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.661 HD13 ' HB2' ' A' ' 106' ' ' ASP . 2.6 tm? -62.93 -43.45 98.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.98 -31.56 60.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.9 -178.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 104' ' ' ARG . 21.3 mtp180 -59.75 -47.69 84.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.974 -179.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -76.41 -38.75 55.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.079 0.466 . . . . 0.0 111.157 175.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.661 ' HB2' HD13 ' A' ' 102' ' ' LEU . 14.7 t70 -62.31 -37.7 86.57 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.676 -175.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.223 178.167 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.488 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 46.7 mm . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.812 0.339 . . . . 0.0 111.332 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.7 t -58.6 -35.52 72.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.259 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.71 -49.1 69.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.715 0.293 . . . . 0.0 110.939 -175.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 4' ' ' ILE . 5.9 ppt_? -66.92 -31.19 71.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.407 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.1 -46.03 75.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.848 176.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.78 -35.47 78.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.002 0.429 . . . . 0.0 110.376 177.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -65.57 -49.6 68.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.199 178.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.8 ptm -69.03 -28.85 66.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.603 0.239 . . . . 0.0 110.556 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.518 HD12 HD22 ' A' ' 21' ' ' LEU . 6.7 tt -62.93 -40.72 98.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.32 -9.3 58.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.366 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 28.8 mm-40 -88.62 -5.3 58.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.923 0.392 . . . . 0.0 110.583 176.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.58 49.7 0.64 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.16 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.442 ' HB ' ' HA ' ' A' ' 12' ' ' LEU . 14.5 m -129.35 89.77 2.9 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -106.56 89.81 3.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.956 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.504 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 13.5 m120 -119.33 157.47 28.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.913 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 19.5 ttt -73.22 -49.6 27.01 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.413 178.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.17 -42.56 98.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.594 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.518 HD22 HD12 ' A' ' 12' ' ' LEU . 5.2 tt -58.92 -37.7 77.27 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 -177.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 18' ' ' ASN . 69.1 mtt180 -59.31 -39.18 82.22 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.727 178.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -70.14 -42.95 71.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.989 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.4 m -56.52 -41.56 76.93 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.138 -178.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.411 HD12 ' HE1' ' A' ' 41' ' ' HIS . 94.1 mt -60.91 -48.89 79.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.383 176.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.31 -41.39 99.52 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.418 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -59.66 -39.72 85.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.864 0.364 . . . . 0.0 110.458 177.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.7 m -65.38 -43.9 89.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.784 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -64.15 -43.57 94.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.935 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.65 -44.34 96.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.132 -176.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.49 -36.95 74.55 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 121.15 0.5 . . . . 0.0 110.873 176.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -91.39 21.78 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.44 -176.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 69.56 19.85 7.29 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.05 172.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -104.13 46.23 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.845 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.475 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 82.5 m-85 -52.87 -36.38 59.0 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.996 -177.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -52.73 -48.53 66.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.842 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.09 -30.31 69.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.158 -176.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.91 -37.02 70.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.748 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 35' ' ' PHE . 95.6 mt -49.48 -54.89 25.96 Favored Pre-proline 0 N--CA 1.469 0.511 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -171.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 43.4 Cg_endo -69.06 -32.3 21.77 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 121.526 1.484 . . . . 0.0 112.34 -177.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.411 ' HE1' HD12 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -71.24 -42.69 68.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.599 -176.475 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.2 -40.11 71.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.767 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -62.56 -40.69 97.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.572 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 47' ' ' ASP . . . -64.26 -41.63 96.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.794 0.33 . . . . 0.0 111.174 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.0 -45.55 67.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.257 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.0 mt -65.14 -24.96 67.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.932 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 29.8 t70 -59.72 -45.43 92.19 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.826 176.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -77.2 -43.52 33.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.43 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -149.08 89.21 4.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 121.296 0.569 . . . . 0.0 110.754 -177.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.25 -2.4 11.13 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 123.184 2.589 . . . . 0.0 113.535 -176.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.63 -6.88 28.37 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -174.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.478 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 16.1 t80 -69.54 94.3 0.75 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.067 0.46 . . . . 0.0 110.016 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.426 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 1.4 p -61.4 -34.25 75.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.778 -172.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.478 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 59.2 t -63.16 -35.92 73.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.084 0.468 . . . . 0.0 110.713 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.3 -28.44 68.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.676 -175.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.812 ' HH2' ' HG3' ' A' ' 86' ' ' ARG . 37.3 m0 -58.67 -47.66 83.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.035 0.445 . . . . 0.0 110.738 -178.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.95 ' HA ' HD21 ' A' ' 95' ' ' LEU . 86.6 tttt -66.45 -36.65 83.31 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.005 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -75.35 -30.55 60.28 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.689 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -42.96 99.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 110.18 -178.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.517 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -64.29 -39.7 97.26 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.919 176.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -63.06 -42.47 99.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.717 0.294 . . . . 0.0 111.537 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.426 ' HB ' ' CD2' ' A' ' 39' ' ' LEU . 1.3 p -71.53 -41.21 69.45 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -175.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.629 HD12 ' HB2' ' A' ' 75' ' ' ALA . 32.0 mt -69.29 -31.35 69.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.766 0.317 . . . . 0.0 110.63 175.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -64.63 -48.93 73.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.415 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 63.51 19.22 62.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.208 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 66.24 18.43 10.93 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.115 0.566 . . . . 0.0 111.04 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -148.18 -41.62 0.04 OUTLIER Glycine 0 CA--C 1.523 0.537 0 C-N-CA 120.048 -1.072 . . . . 0.0 113.942 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -90.8 99.21 12.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.585 0.707 . . . . 0.0 110.891 -173.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -65.67 -29.91 70.53 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.84 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' A' ' 74' ' ' GLN . . . -67.0 -50.2 62.96 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 121.181 -0.208 . . . . 0.0 111.511 -175.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.44 -35.2 91.66 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.386 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.48 ' HB1' ' CZ3' ' A' ' 76' ' ' TRP . . . -60.73 -50.34 73.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.387 -0.406 . . . . 0.0 110.819 176.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -57.77 -49.22 77.32 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.757 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 70' ' ' ALA . 97.0 mt-30 -55.97 -45.9 78.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.77 -177.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.629 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -67.64 -47.57 69.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.033 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.517 ' NE1' ' HA3' ' A' ' 60' ' ' GLY . 24.5 m0 -67.41 -37.13 82.61 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -173.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -62.85 -39.6 94.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.022 0.439 . . . . 0.0 110.284 176.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -70.46 -44.86 66.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.348 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.53 -34.97 90.59 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.035 178.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.0 tp -62.98 -46.76 86.17 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.173 0.511 . . . . 0.0 110.1 179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.21 -33.34 74.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.197 177.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.13 -41.92 89.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.233 0.54 . . . . 0.0 109.856 175.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.97 -36.77 78.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.813 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -61.77 -46.05 91.25 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.316 174.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.6 t -59.31 -38.28 79.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.786 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.812 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 7.1 mmm180 -76.53 -15.69 59.81 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 177.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.61 24.18 67.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.939 -174.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.476 ' O ' HG23 ' A' ' 92' ' ' VAL . 3.9 m-20 -93.44 86.38 5.23 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.615 0.721 . . . . 0.0 110.645 -176.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -53.78 -40.2 66.06 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.238 -1.347 . . . . 0.0 112.834 -177.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -56.64 -43.84 80.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.321 . . . . 0.0 111.066 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.2 t -71.81 -37.82 63.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.981 0.42 . . . . 0.0 110.108 -178.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 88' ' ' ASP . 64.6 t -58.19 -47.5 87.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.325 177.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.577 ' O ' HG23 ' A' ' 97' ' ' VAL . 46.6 mtmt -62.8 -44.35 96.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.768 -178.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.86 -49.39 77.93 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.95 HD21 ' HA ' ' A' ' 57' ' ' LYS . 64.5 mt -69.62 -32.67 71.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.819 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -59.72 -39.9 86.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 93' ' ' LYS . 90.1 t -59.12 -38.38 73.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.489 -177.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -65.02 -41.13 95.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.197 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.19 -36.25 83.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.081 0.467 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -75.28 -47.84 26.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.286 0.565 . . . . 0.0 109.852 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.492 ' O ' ' HG2' ' A' ' 105' ' ' GLU . 51.7 ttt180 -59.1 -41.0 87.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.048 176.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 47.4 tp -58.11 -38.24 76.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.744 0.307 . . . . 0.0 110.716 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.78 -31.71 72.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.442 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -65.0 -47.54 77.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.987 0.422 . . . . 0.0 110.134 175.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' ' 101' ' ' ARG . 4.6 mm-40 -64.77 -44.28 90.54 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.08 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.49 -41.3 93.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.014 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.469 178.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.52 HG22 ' HG ' ' A' ' 8' ' ' LEU . 74.9 mt . . . . . 0 N--CA 1.448 -0.53 0 CA-C-O 120.734 0.302 . . . . 0.0 111.582 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.459 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 1.2 p -57.06 -51.4 69.44 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 -176.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.7 -38.84 92.64 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -174.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -73.81 -32.16 63.6 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.784 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.52 ' HG ' HG22 ' A' ' 4' ' ' ILE . 32.9 mt -66.37 -35.42 80.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.764 176.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 5' ' ' THR . 7.7 mm-40 -52.33 -41.47 63.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.919 0.39 . . . . 0.0 110.627 176.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -71.35 -39.08 71.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.044 177.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 88.7 mtp -68.67 -41.48 79.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.687 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 12' ' ' LEU . 4.1 mm? -64.53 -29.22 70.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.891 0.377 . . . . 0.0 110.581 177.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.71 -7.16 54.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.325 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 77.6 mm-40 -89.93 -8.44 51.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.808 178.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.9 32.7 13.98 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.367 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -102.6 78.41 1.71 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.426 0.631 . . . . 0.0 109.917 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -76.95 125.92 30.12 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.437 -176.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.617 ' HB2' ' HB2' ' A' ' 21' ' ' LEU . 42.4 m-80 -145.97 154.34 41.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.451 174.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -82.21 -45.39 15.13 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 176.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 99.1 mt -78.95 24.3 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 18' ' ' ASN . 26.4 tp -115.78 -29.7 6.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.51 175.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -77.48 -29.32 52.57 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.515 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -67.22 -32.49 73.57 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.846 -179.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 m -61.1 -41.36 96.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.098 176.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.32 -48.3 73.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.282 176.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.447 ' HA2' ' CD2' ' A' ' 29' ' ' TYR . . . -58.49 -47.26 90.91 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.599 -0.728 . . . . 0.0 113.302 -176.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 40.7 mtpt -58.45 -40.45 82.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.913 0.387 . . . . 0.0 110.726 178.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.2 m -67.26 -34.09 76.7 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.219 -176.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.447 ' CD2' ' HA2' ' A' ' 26' ' ' GLY . 26.7 m-85 -60.07 -46.35 89.85 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.956 0.408 . . . . 0.0 110.182 177.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.99 86.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.352 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -64.2 -22.71 67.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.503 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -102.48 14.95 30.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.139 -175.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 68.48 20.66 8.43 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.533 0.682 . . . . 0.0 110.775 175.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.483 ' HG3' ' HB3' ' A' ' 37' ' ' ALA . 44.6 tp60 -108.85 46.27 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.754 -177.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.412 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 70.4 m-85 -54.71 -35.6 63.82 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.427 -176.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -53.52 -49.1 68.29 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.375 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.483 ' HB3' ' HG3' ' A' ' 34' ' ' GLN . . . -74.99 -28.41 60.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.257 -177.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.53 91.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.325 -177.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.495 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 84.0 mt -53.54 -54.44 45.68 Favored Pre-proline 0 CA--C 1.543 0.683 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 -171.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.538 ' HG2' ' HD2' ' A' ' 41' ' ' HIS . 51.1 Cg_endo -71.68 -32.51 11.72 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 121.539 1.493 . . . . 0.0 112.682 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.538 ' HD2' ' HG2' ' A' ' 40' ' ' PRO . 12.4 m-70 -71.62 -36.21 70.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.744 -177.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.17 -39.95 95.09 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.336 174.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -59.87 -39.79 86.45 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.494 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.23 -37.76 72.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.575 -176.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.01 -48.65 43.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.892 0.377 . . . . 0.0 111.625 175.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 55' ' ' ALA . 90.5 mt -74.32 -26.65 60.29 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -173.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -62.93 -38.01 89.3 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.139 0.495 . . . . 0.0 109.756 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -83.28 -43.64 15.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.442 176.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -140.31 88.76 11.17 Favored Pre-proline 0 N--CA 1.464 0.252 0 CA-C-O 120.942 0.401 . . . . 0.0 110.922 -174.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -81.0 -1.51 11.25 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 123.078 2.519 . . . . 0.0 113.117 -175.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -17.99 50.41 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -173.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 11.1 t80 -77.93 96.32 5.0 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.952 0.406 . . . . 0.0 111.154 -175.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.652 ' HB3' HG21 ' A' ' 91' ' ' VAL . 14.8 m -56.23 -38.61 71.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.423 -177.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.57 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 21.5 t -57.35 -36.05 51.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 121.123 0.487 . . . . 0.0 110.949 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.489 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -68.55 -28.65 67.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.862 -176.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.525 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 11.3 m0 -63.19 -47.27 83.33 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.661 0.743 . . . . 0.0 109.046 178.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.658 ' HA ' HD21 ' A' ' 95' ' ' LEU . 30.8 ttpt -65.18 -34.82 79.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.834 178.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.414 ' HD1' HG12 ' A' ' 54' ' ' VAL . 20.1 m95 -65.67 -47.02 76.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.266 175.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.47 -48.35 77.29 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.415 -178.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.09 -41.08 99.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -71.39 -26.22 62.69 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.088 0.47 . . . . 0.0 110.602 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.406 HG23 ' HD1' ' A' ' 35' ' ' PHE . 65.0 m -71.8 -42.51 66.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.558 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.55 HD12 ' HB2' ' A' ' 75' ' ' ALA . 36.6 mt -67.2 -29.76 69.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.28 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.622 ' HA ' ' HB2' ' A' ' 72' ' ' ALA . 21.2 tp60 -56.45 -50.07 72.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.731 177.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.51 17.05 11.97 Favored Glycine 0 CA--C 1.521 0.406 0 CA-C-N 116.012 -0.54 . . . . 0.0 113.178 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.621 ' H ' ' HG3' ' A' ' 64' ' ' GLN . 49.9 tt0 65.94 13.98 9.34 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 122.943 0.497 . . . . 0.0 110.987 -178.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.89 -44.21 0.04 OUTLIER Glycine 0 CA--C 1.521 0.46 0 C-N-CA 119.944 -1.122 . . . . 0.0 114.191 -175.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -91.31 95.91 10.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.531 0.682 . . . . 0.0 110.513 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.7 ptp85 -65.86 -29.54 70.0 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.766 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.91 -50.3 56.96 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.424 -173.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.39 -39.14 91.58 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.694 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.622 ' HB2' ' HA ' ' A' ' 64' ' ' GLN . . . -62.06 -51.98 65.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.754 0.312 . . . . 0.0 110.842 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.491 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 69.8 ttt180 -59.67 -51.05 71.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.369 -178.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -57.2 -38.15 73.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.136 -177.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.55 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -67.13 -44.36 80.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.347 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.527 ' HB3' HD21 ' A' ' 99' ' ' LEU . 20.0 m0 -71.02 -39.85 72.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.282 -177.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 73' ' ' ARG . 12.3 mm-40 -60.11 -42.62 95.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.265 0.555 . . . . 0.0 109.769 178.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -74.13 -43.3 57.99 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.259 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.36 -24.56 73.63 Favored Glycine 0 C--N 1.331 0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.911 -177.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.4 tp -58.72 -43.55 90.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.112 0.482 . . . . 0.0 110.256 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.08 75.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.349 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.98 90.47 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 176.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.53 -42.49 91.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.659 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -58.23 -49.4 77.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.278 177.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.2 t -63.46 -38.16 90.09 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.283 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.502 ' HG3' ' CH2' ' A' ' 56' ' ' TRP . 10.3 mmm180 -76.24 -13.21 60.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.701 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.53 22.42 78.52 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.601 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 92' ' ' VAL . 13.2 t0 -89.78 82.23 6.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.65 0.738 . . . . 0.0 109.404 -176.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -64.14 -37.25 86.79 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.312 -175.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.59 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 46.4 tt0 -55.93 -47.62 77.19 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.515 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.652 HG21 ' HB3' ' A' ' 53' ' ' SER . 75.4 t -64.91 -37.16 79.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.688 -177.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 88' ' ' ASP . 64.2 t -57.54 -47.98 84.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.449 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.423 ' O ' HG23 ' A' ' 97' ' ' VAL . 53.5 mtmt -67.72 -40.68 84.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.422 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 88.8 mt-10 -61.34 -48.38 81.59 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.775 0.321 . . . . 0.0 110.96 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.658 HD21 ' HA ' ' A' ' 57' ' ' LYS . 59.2 mt -67.63 -34.49 77.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.603 178.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -56.78 -33.98 67.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.171 178.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 93' ' ' LYS . 93.1 t -59.7 -40.62 82.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.239 0.542 . . . . 0.0 110.241 179.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.41 ' HB3' ' CH2' ' A' ' 76' ' ' TRP . 98.4 m-85 -67.68 -36.42 80.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.835 178.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.527 HD21 ' HB3' ' A' ' 76' ' ' TRP . 4.0 mm? -62.18 -35.6 79.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.426 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -65.68 -44.84 85.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.503 0.668 . . . . 0.0 109.89 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 101' ' ' ARG . 22.6 ttt180 -63.7 -41.62 98.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.646 177.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -39.19 88.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.823 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.03 -31.6 68.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.889 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -69.16 -28.89 66.82 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.546 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -75.65 -41.44 54.07 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.063 0.458 . . . . 0.0 109.819 172.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.58 -44.33 76.81 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.928 174.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.646 0 CA-C-N 114.481 -1.236 . . . . 0.0 112.499 -179.538 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.542 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 62.5 mt . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.943 0.402 . . . . 0.0 110.495 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.482 HG22 ' HA ' ' A' ' 25' ' ' LEU . 1.7 p -57.46 -37.16 72.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.475 178.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -56.3 -49.73 73.46 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 -177.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 4' ' ' ILE . 7.8 ptp180 -74.76 -32.87 62.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.191 -179.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.565 HD22 HD11 ' A' ' 21' ' ' LEU . 70.9 mt -67.19 -38.15 84.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.413 -178.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.82 -36.2 62.25 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.627 0.251 . . . . 0.0 111.348 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.32 -38.94 85.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.924 0.392 . . . . 0.0 110.773 177.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.5 ttm -68.68 -39.38 80.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.466 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.93 -37.17 78.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.694 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.05 -6.49 45.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.922 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -91.56 4.2 53.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.671 0.272 . . . . 0.0 110.813 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.49 37.16 11.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.77 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 m -132.24 93.99 3.37 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 -177.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.505 ' HB3' HH11 ' A' ' 22' ' ' ARG . 6.7 m-20 -93.7 -45.37 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.194 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 59.93 -159.24 0.31 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.152 -178.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 14.0 tpt -111.91 -59.2 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.085 0.469 . . . . 0.0 110.482 176.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 20' ' ' LEU . 2.2 tm? -67.32 -32.49 73.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.166 -176.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.565 HD11 HD22 ' A' ' 8' ' ' LEU . 45.8 tp -60.5 -59.83 4.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.448 -177.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.505 HH11 ' HB3' ' A' ' 17' ' ' ASP . 8.2 ptm180 -60.35 -28.01 67.83 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -176.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -69.67 -41.09 75.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.379 . . . . 0.0 110.67 176.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 95.2 m -57.82 -36.53 72.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.788 -176.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.482 ' HA ' HG22 ' A' ' 5' ' ' THR . 7.4 mp -65.44 -44.02 88.62 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.986 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.17 -47.94 88.42 Favored Glycine 0 C--O 1.228 -0.241 0 C-N-CA 120.861 -0.685 . . . . 0.0 113.092 -173.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -63.67 -35.95 82.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.891 0.376 . . . . 0.0 111.422 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.9 m -69.13 -36.4 77.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -68.34 -36.36 79.12 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.884 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.7 90.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 0.0 110.634 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.9 -22.4 65.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.616 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.91 18.59 7.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.897 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 67.55 23.89 8.79 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.374 0.607 . . . . 0.0 111.354 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -118.69 43.12 2.6 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 175.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -58.66 -32.11 68.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.195 -1.366 . . . . 0.0 112.286 -175.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -55.86 -48.08 76.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.223 0.535 . . . . 0.0 110.468 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.01 -27.9 61.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.948 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.08 87.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.632 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.6 mt -51.9 -54.42 40.64 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -174.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -65.12 -32.36 52.88 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 121.427 1.418 . . . . 0.0 112.343 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -72.18 -37.14 69.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.764 -178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.8 mt -71.0 -47.75 57.06 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 ttt85 -62.92 -31.59 72.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.581 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.04 -32.46 72.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.821 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.03 -46.91 64.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.919 0.39 . . . . 0.0 110.539 177.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' A' ' 55' ' ' ALA . 71.7 mt -65.29 -24.34 67.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.984 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -55.91 -41.62 74.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.127 0.489 . . . . 0.0 111.069 -179.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -81.59 -38.63 25.79 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.417 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -144.29 89.65 6.92 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.827 0.346 . . . . 0.0 110.619 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -69.22 -3.6 11.99 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 123.298 2.665 . . . . 0.0 113.375 -175.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.66 10.92 9.93 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -172.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.487 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 10.6 t80 -82.98 95.09 7.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.279 0.561 . . . . 0.0 110.365 -179.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.654 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 4.9 m -56.61 -33.36 66.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.08 -0.963 . . . . 0.0 112.965 -173.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.487 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 54.4 t -63.11 -36.49 76.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.013 0.435 . . . . 0.0 110.583 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.547 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -71.07 -28.77 64.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.589 -176.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.654 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 33.0 m0 -60.6 -48.38 82.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.214 0.531 . . . . 0.0 110.128 -178.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.569 ' HA ' HD21 ' A' ' 95' ' ' LEU . 38.5 ttpt -66.47 -34.94 79.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.787 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -66.13 -37.58 86.05 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.989 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 72.2 mt -56.62 -52.27 65.51 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.659 0.266 . . . . 0.0 111.481 -177.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.89 -39.1 97.61 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.16 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -59.01 -44.09 91.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.159 0.504 . . . . 0.0 110.963 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.3 m -70.5 -36.77 73.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.639 -177.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.36 -34.82 76.76 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.049 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -60.8 -48.61 81.04 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.204 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.97 -28.43 71.8 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.073 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -65.65 -38.05 88.26 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.145 0.497 . . . . 0.0 109.675 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.67 -10.82 4.6 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.325 -0.941 . . . . 0.0 113.577 173.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -90.27 98.61 11.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.613 0.721 . . . . 0.0 110.866 -174.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 69' ' ' ARG . 20.1 ttp180 -61.02 -43.82 98.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.743 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.497 ' O ' ' HG2' ' A' ' 74' ' ' GLN . . . -67.52 -49.22 64.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.197 -178.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.7 -43.2 96.49 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.636 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.87 -42.38 97.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.059 0.457 . . . . 0.0 110.387 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -63.02 -48.82 77.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.367 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 70' ' ' ALA . 12.8 mm-40 -65.23 -40.25 93.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.952 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.41 94.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.173 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.488 ' CH2' ' HB3' ' A' ' 98' ' ' PHE . 22.2 m0 -68.68 -36.89 79.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.417 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.42 -35.11 70.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.67 0.271 . . . . 0.0 111.287 177.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.9 m -70.24 -42.29 72.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.023 0.44 . . . . 0.0 109.842 176.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.37 -25.63 73.66 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.13 177.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.404 HD11 HG13 ' A' ' 92' ' ' VAL . 12.1 tp -62.57 -53.67 51.21 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.278 0.561 . . . . 0.0 110.081 178.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.75 -30.86 71.89 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.934 178.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.01 84.29 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.635 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -64.88 -42.25 94.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.513 177.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -58.76 -46.67 86.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.377 175.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 t -61.51 -38.96 89.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.158 178.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -79.66 -16.03 56.5 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 120.9 0.381 . . . . 0.0 111.771 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.97 13.26 72.28 Favored Glycine 0 CA--C 1.523 0.577 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.406 -177.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.403 ' O ' HG23 ' A' ' 92' ' ' VAL . 10.6 m-20 -84.32 79.29 9.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.322 0.582 . . . . 0.0 110.553 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -62.22 -36.18 81.16 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.745 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -56.1 -47.47 78.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.439 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.409 HG21 ' HB3' ' A' ' 53' ' ' SER . 53.3 t -65.79 -38.68 82.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.761 -177.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.449 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 90.1 t -58.39 -50.28 79.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.514 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -67.72 -35.36 78.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.343 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -58.86 -49.06 79.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.092 0.473 . . . . 0.0 110.6 173.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.569 HD21 ' HA ' ' A' ' 57' ' ' LYS . 98.7 mt -63.67 -32.82 74.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.405 -179.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 92' ' ' VAL . 30.0 mm-40 -56.87 -38.11 72.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.216 178.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.6 t -62.44 -44.85 99.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.32 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.488 ' HB3' ' CH2' ' A' ' 76' ' ' TRP . 89.1 m-85 -68.35 -38.0 81.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.213 -175.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.4 -32.44 68.62 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.953 0.406 . . . . 0.0 111.696 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -65.36 -44.9 86.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.087 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -55.35 -43.6 75.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.391 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 102' ' ' LEU . 12.4 mt -67.63 -31.65 71.8 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.08 -34.56 73.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.884 0.374 . . . . 0.0 110.443 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -73.21 -34.53 65.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.031 0.443 . . . . 0.0 110.317 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.68 -42.49 86.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.458 175.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.46 -35.06 70.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.961 -177.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.733 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.561 178.697 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.9 mt . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.841 0.353 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.8 p -59.56 -43.28 93.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.718 -177.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -69.21 -39.85 78.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.133 -174.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -73.99 -32.2 63.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.5 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.526 ' HB3' HD11 ' A' ' 25' ' ' LEU . 75.2 mt -68.03 -47.14 69.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.729 0.299 . . . . 0.0 110.923 176.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.68 -32.75 73.88 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.356 0.598 . . . . 0.0 110.399 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.19 -28.27 67.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.511 178.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.3 ttp -58.25 -25.14 61.39 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.638 -175.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.582 ' HA ' ' O ' ' A' ' 16' ' ' THR . 60.6 mt -58.04 -35.71 71.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.955 0.407 . . . . 0.0 110.808 177.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.44 -6.05 52.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.647 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -86.92 2.74 48.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.976 0.417 . . . . 0.0 110.688 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.41 39.07 3.8 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.967 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.582 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 24.8 m -150.09 96.01 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -115.49 106.0 13.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.966 0.412 . . . . 0.0 111.328 -176.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -147.81 165.51 30.34 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 176.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.06 -24.07 28.28 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 171.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.421 ' HA ' HD22 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -75.54 67.15 2.02 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.997 -178.615 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.51 ' O ' HG22 ' A' ' 24' ' ' THR . 4.0 pp -175.63 -34.52 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.671 -1.15 . . . . 0.0 109.222 175.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.792 ' HA ' HD13 ' A' ' 25' ' ' LEU . 74.0 mtt180 -70.83 -13.6 62.1 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.758 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -62.75 -40.41 97.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.582 0.23 . . . . 0.0 110.687 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 21' ' ' LEU . 14.8 t -69.82 -34.07 73.18 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.792 HD13 ' HA ' ' A' ' 22' ' ' ARG . 7.2 mp -63.26 -50.25 70.9 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 176.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.435 ' HA2' ' HD2' ' A' ' 29' ' ' TYR . . . -60.45 -43.08 99.14 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.373 -178.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -63.19 -38.78 92.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.751 0.31 . . . . 0.0 110.259 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.0 m -68.4 -37.68 80.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.973 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.435 ' HD2' ' HA2' ' A' ' 26' ' ' GLY . 50.3 m-85 -59.59 -47.3 86.11 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 174.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.09 -45.18 93.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.966 -178.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.18 -22.63 66.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.39 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -91.12 7.14 42.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 69.44 15.76 8.31 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.856 0.862 . . . . 0.0 110.744 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -95.02 43.77 1.09 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -178.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.639 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 90.6 m-85 -55.09 -34.77 63.92 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.05 -177.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -53.01 -50.69 63.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.939 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.48 -28.87 56.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.273 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.12 -38.37 85.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.585 -177.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.45 ' HB3' ' HD3' ' A' ' 40' ' ' PRO . 1.6 tt -53.58 -54.81 41.71 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.233 -173.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' ' 39' ' ' LEU . 45.9 Cg_endo -71.24 -30.81 15.33 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.519 1.479 . . . . 0.0 112.491 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.55 -40.46 76.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.048 0.451 . . . . 0.0 110.158 -177.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.434 HD21 ' HA3' ' A' ' 26' ' ' GLY . 79.1 mt -71.97 -45.09 62.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.738 175.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -59.21 -38.34 79.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.177 -177.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.9 -43.64 98.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.765 0.317 . . . . 0.0 110.994 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.49 -42.55 74.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.02 0.438 . . . . 0.0 110.697 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 55' ' ' ALA . 83.5 mt -64.96 -25.03 67.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.339 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.77 -33.73 76.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.916 0.388 . . . . 0.0 110.237 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -78.11 -44.12 27.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.63 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -146.83 88.07 6.09 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 121.148 0.499 . . . . 0.0 110.175 -177.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.88 -2.79 10.85 Favored 'Trans proline' 0 N--CA 1.469 0.063 0 C-N-CA 123.141 2.561 . . . . 0.0 113.488 -174.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.61 -1.64 14.31 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -173.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -78.52 88.98 4.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.481 0.658 . . . . 0.0 110.775 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.882 ' HB2' HG21 ' A' ' 91' ' ' VAL . 9.8 p -55.98 -36.73 68.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.857 -1.065 . . . . 0.0 113.172 -175.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.1 t -57.08 -36.54 51.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.071 0.462 . . . . 0.0 111.06 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.463 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -70.95 -28.63 64.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.812 -176.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.652 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 19.5 m0 -63.51 -47.29 82.29 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.55 0.69 . . . . 0.0 110.036 -178.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.55 ' HA ' HD21 ' A' ' 95' ' ' LEU . 21.5 tttt -62.26 -40.84 97.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.629 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -75.4 -28.54 59.48 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.411 ' O ' ' HB ' ' A' ' 62' ' ' THR . 6.7 tt -58.17 -41.65 84.29 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.424 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -60.65 -44.04 98.32 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.225 176.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -66.9 -24.69 66.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.719 0.295 . . . . 0.0 110.896 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.639 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 72.6 m -63.35 -49.52 73.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.345 178.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.41 -38.54 87.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.759 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 17.6 tm0? -60.18 -50.11 74.95 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.329 -178.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.34 -22.31 76.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.562 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.27 -28.88 66.69 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 120.91 8.5 8.02 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.98 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -113.57 93.08 4.22 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.469 ' HD3' ' CB ' ' A' ' 105' ' ' GLU . 28.0 ttm-85 -66.25 -38.57 88.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.78 -177.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.83 84.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.389 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.39 -28.92 73.71 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.66 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.34 -50.73 62.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.664 0.269 . . . . 0.0 111.102 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 50.0 ptt85 -67.3 -41.98 84.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.478 -176.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -64.65 -33.62 76.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.935 0.398 . . . . 0.0 110.464 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.86 99.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.601 178.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.518 ' CD1' HD22 ' A' ' 95' ' ' LEU . 12.1 m0 -71.08 -37.05 72.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.859 178.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.97 -40.3 92.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.873 0.368 . . . . 0.0 110.338 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.2 t -73.6 -41.61 62.62 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.552 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.95 -28.41 73.63 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 121.273 -0.489 . . . . 0.0 112.895 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.441 HD11 HG13 ' A' ' 92' ' ' VAL . 12.5 tp -59.42 -49.16 78.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.076 0.465 . . . . 0.0 110.155 178.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.12 71.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.599 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.34 96.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.022 0.439 . . . . 0.0 110.104 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.27 -41.16 73.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.49 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -58.27 -41.85 85.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.972 176.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.0 m -56.22 -39.58 72.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.107 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.8 mmt-85 -90.22 -13.46 35.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.885 0.374 . . . . 0.0 111.785 178.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.73 38.13 57.03 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.647 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.501 ' O ' HG23 ' A' ' 92' ' ' VAL . 10.2 t0 -92.39 88.24 6.32 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.512 0.672 . . . . 0.0 109.206 -179.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -60.31 -35.67 76.13 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.282 -176.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -56.82 -48.25 78.42 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.789 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.882 HG21 ' HB2' ' A' ' 53' ' ' SER . 98.0 t -70.58 -37.66 70.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.709 -177.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 88' ' ' ASP . 91.2 t -58.17 -51.06 75.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.307 177.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -61.81 -39.65 92.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.336 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -58.65 -49.41 77.62 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.16 0.505 . . . . 0.0 111.224 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' A' ' 57' ' ' LYS . 90.7 mt -67.86 -32.33 72.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.224 -177.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' ' 92' ' ' VAL . 19.5 mm-40 -56.8 -37.37 71.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.826 176.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.72 -41.83 85.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 121.034 0.445 . . . . 0.0 110.508 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -65.48 -32.86 74.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.351 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.47 -35.61 79.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.063 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 27.1 mtt180 -71.45 -44.82 64.09 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.903 0.858 . . . . 0.0 109.076 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -56.49 -47.99 78.08 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 113.654 -1.612 . . . . 0.0 110.752 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.99 -42.69 76.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.442 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.78 -37.83 74.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.507 -177.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -61.71 -33.77 74.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.16 177.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.469 ' CB ' ' HD3' ' A' ' 69' ' ' ARG . 54.9 mt-10 -75.34 -47.26 28.5 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 120.68 0.276 . . . . 0.0 111.129 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -67.23 -37.0 82.84 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.102 0.477 . . . . 0.0 110.396 -176.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.39 178.017 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.469 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 81.4 mt . . . . . 0 CA--C 1.53 0.176 0 CA-C-O 120.968 0.413 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.484 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 17.8 p -61.53 -49.55 76.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.153 -176.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -65.44 -37.93 88.37 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -175.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 4' ' ' ILE . 8.2 ppt_? -72.11 -31.0 65.64 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.61 -0.436 . . . . 0.0 109.933 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.571 ' HB3' HD11 ' A' ' 25' ' ' LEU . 63.0 mt -64.43 -45.26 88.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.199 171.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 5' ' ' THR . 43.5 mt-10 -59.96 -36.08 76.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.693 177.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.39 72.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.28 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 86.0 mtp -60.86 -33.27 72.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.892 0.377 . . . . 0.0 110.558 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.48 -30.66 61.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.951 0.405 . . . . 0.0 110.174 176.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.13 -37.4 69.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.052 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -77.46 -8.43 57.75 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.411 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.23 21.48 29.78 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.762 -0.732 . . . . 0.0 113.552 173.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 m -96.58 45.83 1.06 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.585 0.707 . . . . 0.0 110.088 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -73.42 143.05 46.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.835 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.468 ' O ' ' HB2' ' A' ' 19' ' ' MET . 21.3 m-80 -147.06 -13.97 0.41 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.0 -175.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.468 ' HB2' ' O ' ' A' ' 18' ' ' ASN . 72.6 mmm 73.68 -50.0 0.69 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.966 -173.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.91 60.25 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.689 . . . . 0.0 110.15 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -160.69 -48.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.411 -177.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.913 ' HA ' HD13 ' A' ' 25' ' ' LEU . 4.2 ptp85 -69.95 -10.07 57.29 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -69.54 -31.86 70.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.092 0.472 . . . . 0.0 110.74 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.5 m -66.45 -34.0 76.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.158 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.913 HD13 ' HA ' ' A' ' 22' ' ' ARG . 8.3 mp -56.75 -45.82 81.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.029 -178.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.477 ' HA3' HD21 ' A' ' 42' ' ' LEU . . . -64.2 -33.13 86.42 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.375 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.97 -46.78 89.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.42 0.153 . . . . 0.0 111.147 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.8 m -57.81 -42.04 83.43 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.451 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -62.9 -42.88 99.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.949 0.404 . . . . 0.0 110.122 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.51 -37.71 80.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.134 -177.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -71.11 -22.44 62.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.185 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -88.59 7.72 31.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.615 175.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 63.64 20.87 12.46 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.718 -178.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -108.0 71.94 0.83 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.511 ' HB2' ' HB2' ' A' ' 66' ' ' GLN . 83.2 m-85 -67.48 -34.44 77.17 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.644 -177.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.48 -37.73 65.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.018 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.429 ' O ' ' HD2' ' A' ' 41' ' ' HIS . . . -73.15 -27.87 61.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.166 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.6 -37.54 73.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.414 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.417 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 7.6 mp -49.7 -54.45 31.39 Favored Pre-proline 0 N--CA 1.472 0.671 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -173.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 18.7 Cg_endo -61.7 -40.43 45.93 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 121.811 1.674 . . . . 0.0 112.842 -176.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.429 ' HD2' ' O ' ' A' ' 37' ' ' ALA . 91.0 m-70 -72.09 -41.69 67.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.898 -177.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.477 HD21 ' HA3' ' A' ' 26' ' ' GLY . 89.3 mt -67.0 -42.09 85.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.684 179.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -67.28 -31.28 71.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.299 -178.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.35 96.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.477 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.405 ' HB2' ' HD3' ' A' ' 22' ' ' ARG . . . -65.45 -37.48 87.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.645 178.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.445 HD11 HD21 ' A' ' 59' ' ' LEU . 96.4 mt -64.85 -25.09 67.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.177 178.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -71.12 -37.32 72.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.312 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -78.73 -43.8 24.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.104 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -145.06 88.76 6.69 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-O 121.07 0.462 . . . . 0.0 110.717 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -68.23 -3.93 11.75 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 123.042 2.494 . . . . 0.0 112.4 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.37 6.59 44.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.929 -177.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.493 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 12.4 t80 -72.82 93.62 1.71 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.33 -179.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.607 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 28.3 p -59.58 -34.5 72.8 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.51 -174.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.493 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 85.3 t -62.59 -36.6 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.004 0.431 . . . . 0.0 110.587 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.574 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -70.51 -32.33 69.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.024 -177.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.607 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 39.0 m0 -57.33 -47.38 81.72 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.167 0.508 . . . . 0.0 109.817 179.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.905 ' HA ' HD21 ' A' ' 95' ' ' LEU . 35.2 ttpt -66.15 -37.0 84.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.385 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -67.92 -34.33 76.42 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 88.8 mt -56.39 -52.27 65.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.584 0.23 . . . . 0.0 111.521 -177.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.425 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -61.11 -42.42 99.78 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.279 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -59.33 -45.54 91.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.955 0.407 . . . . 0.0 111.094 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.3 m -64.29 -49.12 73.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.657 -175.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 59' ' ' LEU . 3.9 mm? -61.33 -46.0 92.07 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.223 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -62.68 -40.45 97.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.542 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.76 -42.16 98.66 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.355 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.511 ' HB2' ' HB2' ' A' ' 35' ' ' PHE . 56.3 tp60 -66.93 -38.14 85.62 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.977 0.418 . . . . 0.0 110.474 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.83 18.16 2.19 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.972 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -107.98 86.69 2.34 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 69' ' ' ARG . 27.1 ttp85 -65.4 -34.98 79.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.984 -177.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.36 -46.78 72.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.567 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.94 -36.62 93.29 Favored Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.804 177.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.49 -50.32 74.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.615 0.245 . . . . 0.0 110.427 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -59.87 -43.62 94.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.447 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -56.84 -45.61 82.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.085 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.08 -40.39 86.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.556 ' CD1' HD22 ' A' ' 95' ' ' LEU . 12.7 m0 -64.82 -48.37 74.62 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.674 -179.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.19 -38.53 90.76 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.93 0.395 . . . . 0.0 110.789 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 t -65.66 -47.9 73.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.222 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.64 -27.89 72.84 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.14 -0.553 . . . . 0.0 112.38 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 76' ' ' TRP . 9.0 tp -64.28 -53.94 41.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 0.0 110.187 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.2 -30.86 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.519 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 86' ' ' ARG . . . -64.94 -44.5 89.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.036 0.446 . . . . 0.0 109.811 176.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.423 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -69.66 -38.13 76.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.767 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.481 ' OE1' HG21 ' A' ' 92' ' ' VAL . 14.5 mm100 -60.88 -44.6 96.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 110.762 175.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.6 t -66.43 -34.77 78.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.557 177.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 82' ' ' ALA . 1.8 tmt_? -75.57 -14.17 60.38 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 122.942 0.497 . . . . 0.0 111.108 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.32 28.27 64.24 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.115 -177.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -105.7 87.86 2.69 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.357 0.599 . . . . 0.0 109.476 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -64.35 -36.4 84.02 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.192 -178.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.65 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 35.5 tt0 -56.54 -48.22 77.76 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 -178.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.88 -39.04 83.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 120.958 0.409 . . . . 0.0 110.653 -176.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.481 HG21 ' OE1' ' A' ' 84' ' ' GLN . 66.2 t -59.27 -51.44 72.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.55 177.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -67.66 -30.17 69.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.728 -177.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.65 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 42.2 mt-10 -64.96 -49.6 69.68 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.899 0.381 . . . . 0.0 110.3 175.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.905 HD21 ' HA ' ' A' ' 57' ' ' LYS . 67.6 mt -66.67 -31.64 72.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.132 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.546 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 35.0 tt0 -56.55 -36.41 69.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.993 177.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.19 -40.88 84.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 110.282 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.408 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 97.3 m-85 -66.82 -37.06 83.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.724 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.63 -33.05 75.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.246 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 32.1 mtm-85 -69.12 -47.09 66.03 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.404 0.621 . . . . 0.0 110.065 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -61.67 -41.03 97.0 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.063 175.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.9 tp -58.53 -34.35 70.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.124 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.96 -36.55 83.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -68.23 -40.71 81.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.974 177.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.29 -40.79 90.27 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.286 177.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -56.8 -44.7 82.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.947 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.914 -178.833 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.555 HG22 ' HG ' ' A' ' 8' ' ' LEU . 38.0 mm . . . . . 0 N--CA 1.469 0.499 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.9 t -55.86 -32.52 63.71 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -173.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.4 -40.52 67.15 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 118.632 0.651 . . . . 0.0 111.031 -175.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -73.5 -31.02 63.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 0.0 110.238 177.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.555 ' HG ' HG22 ' A' ' 4' ' ' ILE . 98.9 mt -63.64 -43.98 95.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.128 0.49 . . . . 0.0 109.734 172.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -62.49 -32.09 72.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.444 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -61.33 -43.18 99.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.993 177.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.7 mtm -64.9 -36.3 83.93 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.209 0.528 . . . . 0.0 110.081 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.24 -40.47 90.36 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 176.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.31 -7.9 50.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.775 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 82.5 mm-40 -97.02 8.39 44.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.986 0.422 . . . . 0.0 110.139 176.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.39 25.21 48.4 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.275 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.0 m -104.12 80.93 1.78 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.336 0.589 . . . . 0.0 109.989 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -91.38 105.58 17.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.224 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.492 ' HB2' ' HB2' ' A' ' 21' ' ' LEU . 7.4 m120 -117.45 148.26 41.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.342 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 15.5 tpt -64.74 -41.44 95.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.928 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.26 20.22 2.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.797 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.492 ' HB2' ' HB2' ' A' ' 18' ' ' ASN . 47.9 tp -113.49 -52.43 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.878 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -53.27 -41.25 65.36 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.116 0.484 . . . . 0.0 110.826 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -68.24 -40.34 82.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.832 -178.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.3 m -64.4 -36.59 84.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.431 -177.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 mp -60.88 -44.93 96.4 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.817 0.341 . . . . 0.0 110.197 175.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.25 -43.92 98.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.098 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HE3' ' NE1' ' A' ' 58' ' ' TRP . 12.1 mmmm -56.94 -45.41 82.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.007 0.432 . . . . 0.0 110.912 178.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.8 m -69.25 -41.01 77.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.451 -175.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -66.58 -41.77 88.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.928 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.6 90.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.326 . . . . 0.0 110.92 -176.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -58.16 -32.15 67.93 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.143 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -100.04 22.26 11.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.174 -176.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 75.17 9.77 3.79 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.299 0.571 . . . . 0.0 111.593 171.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.516 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 5.9 tp60 -91.86 48.46 1.44 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.612 0.72 . . . . 0.0 109.122 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -50.49 -34.37 24.79 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.437 -175.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -52.2 -48.93 64.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.04 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.19 -27.14 59.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.462 -175.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.81 -38.87 73.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.65 -177.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.419 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 5.3 mp -52.44 -54.38 42.93 Favored Pre-proline 0 N--CA 1.47 0.572 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -173.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 25.2 Cg_endo -64.27 -33.81 58.18 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 121.697 1.598 . . . . 0.0 112.477 -178.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -71.75 -46.35 58.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.43 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.36 -36.29 78.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.715 0.293 . . . . 0.0 110.839 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -63.42 -42.17 98.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.116 178.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.25 -43.32 91.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.755 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.66 -44.62 96.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 111.207 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.421 HD21 ' HB3' ' A' ' 55' ' ' ALA . 43.7 mt -67.42 -25.88 66.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.329 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.24 -40.34 74.51 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.119 0.485 . . . . 0.0 109.898 176.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -74.11 -44.44 53.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.104 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -151.05 88.73 4.41 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-O 121.024 0.44 . . . . 0.0 111.034 -175.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -68.2 -3.41 10.73 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 123.442 2.761 . . . . 0.0 113.66 -175.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 t -79.73 -7.94 58.93 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -174.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -75.51 96.46 3.49 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.034 0.445 . . . . 0.0 111.423 -178.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.656 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 10.9 p -60.1 -31.41 70.02 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.992 -179.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.6 t -57.69 -36.59 55.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.373 177.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.421 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -69.78 -40.4 76.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.511 -178.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.656 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 3.5 m0 -60.98 -47.79 84.81 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.773 0.797 . . . . 0.0 109.505 -179.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.964 ' HA ' HD21 ' A' ' 95' ' ' LEU . 72.0 tttt -65.47 -42.55 92.16 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.507 -1.224 . . . . 0.0 111.921 -176.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.402 ' NE1' ' HE3' ' A' ' 27' ' ' LYS . 42.5 m95 -74.32 -33.98 63.34 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.404 HD13 HD23 ' A' ' 63' ' ' LEU . 1.4 tm? -60.9 -44.13 97.57 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.471 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -61.85 -43.94 98.53 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.39 176.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -58.15 -41.18 83.21 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.003 0.43 . . . . 0.0 110.721 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.1 m -62.49 -49.23 76.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.322 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.404 HD23 HD13 ' A' ' 59' ' ' LEU . 3.6 mm? -68.22 -34.52 76.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.596 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -67.18 -38.52 85.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.969 0.414 . . . . 0.0 110.163 176.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.91 -26.91 71.55 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.558 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -84.06 -28.51 27.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.948 0.404 . . . . 0.0 110.217 177.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.26 44.29 4.73 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.355 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -112.72 103.56 11.59 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -57.67 -49.72 75.56 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.944 -174.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.77 -47.76 65.4 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -177.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.8 -40.93 97.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.873 -176.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.22 -47.43 70.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.863 0.363 . . . . 0.0 110.59 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -62.36 -38.34 89.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.005 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -56.96 -45.92 82.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.344 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.65 -43.38 80.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.645 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.55 ' CD1' HD22 ' A' ' 95' ' ' LEU . 11.6 m0 -66.38 -48.75 69.13 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -64.17 -35.33 80.43 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.925 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.6 m -70.8 -43.3 68.96 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 177.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.45 -30.63 62.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.387 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.58 -49.0 76.99 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.17 -34.08 74.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.064 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.84 96.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.01 0.433 . . . . 0.0 109.878 176.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.43 -38.37 84.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.632 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.451 HE21 HG21 ' A' ' 92' ' ' VAL . 23.0 mm-40 -58.11 -51.16 70.86 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.155 174.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.9 m -57.45 -39.17 75.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.497 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -79.23 -12.55 59.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.655 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.07 29.51 72.28 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.039 -176.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.457 ' O ' HG23 ' A' ' 92' ' ' VAL . 8.4 t70 -99.04 83.84 2.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.396 0.617 . . . . 0.0 109.859 -177.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -63.48 -30.88 71.93 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.12 -0.946 . . . . 0.0 112.32 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -57.54 -48.22 79.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.402 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.476 HG21 ' HB2' ' A' ' 53' ' ' SER . 74.1 t -68.29 -38.09 78.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.77 0.319 . . . . 0.0 110.774 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 88' ' ' ASP . 97.0 t -57.96 -48.76 83.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.226 178.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.481 ' O ' HG23 ' A' ' 97' ' ' VAL . 59.5 mtmt -67.7 -32.12 72.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.892 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -63.49 -50.66 68.78 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 121.077 0.465 . . . . 0.0 111.129 175.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.964 HD21 ' HA ' ' A' ' 57' ' ' LYS . 69.3 mt -69.49 -32.09 70.76 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.83 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.531 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 36.1 tt0 -56.97 -37.94 72.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.022 177.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 93' ' ' LYS . 91.5 t -60.96 -44.82 98.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 121.004 0.43 . . . . 0.0 110.625 177.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.406 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 66.8 m-85 -67.28 -31.01 71.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.991 -179.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' A' ' 76' ' ' TRP . 93.4 mt -63.58 -38.17 90.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.64 177.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 21.2 mmt180 -64.85 -49.63 69.83 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 121.816 0.817 . . . . 0.0 109.628 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -56.59 -41.43 76.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.196 -1.366 . . . . 0.0 111.103 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.507 ' HG ' ' HZ3' ' A' ' 76' ' ' TRP . 3.2 tm? -60.86 -43.72 97.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.367 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.04 -32.6 73.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.354 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 73.6 mtt-85 -70.93 -39.96 72.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.669 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -65.91 -39.42 90.57 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.09 175.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.27 -49.02 75.42 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.654 174.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.183 -177.852 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.472 ' O ' HD23 ' A' ' 8' ' ' LEU . 65.8 mt . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 121.302 0.572 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.504 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 17.6 m -60.51 -52.74 63.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.429 -176.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -69.17 -38.13 78.56 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -172.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -64.92 -37.26 87.06 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.385 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.533 ' HA ' ' HG2' ' A' ' 11' ' ' MET . 3.8 mm? -67.26 -41.75 85.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.028 176.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 5' ' ' THR . 51.5 mm-40 -56.37 -44.63 80.36 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.892 0.377 . . . . 0.0 110.772 177.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.58 -48.87 65.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.45 -178.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.533 ' HG2' ' HA ' ' A' ' 8' ' ' LEU . 26.7 ptm -69.93 -32.17 70.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.582 0.23 . . . . 0.0 111.185 -174.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.38 -44.73 96.66 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 177.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.71 -21.98 64.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.427 -178.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -78.53 -9.52 59.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.899 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.97 26.66 5.43 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.726 -0.749 . . . . 0.0 113.053 177.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.5 m -108.96 79.56 1.23 Allowed 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.144 0.497 . . . . 0.0 110.819 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -91.09 92.05 8.54 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.443 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 15.4 t-20 -85.5 170.38 12.7 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.506 -174.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.9 ttt -76.1 -50.93 13.34 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.371 -176.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.554 HD23 ' H ' ' A' ' 20' ' ' LEU . 2.6 pt? -85.04 15.3 4.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.747 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.701 ' HB3' HH11 ' A' ' 22' ' ' ARG . 0.3 OUTLIER -56.24 -42.14 76.87 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.932 -179.614 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.701 HH11 ' HB3' ' A' ' 21' ' ' LEU . 4.6 mpt_? -69.63 -40.45 76.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.547 -177.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -69.92 -42.43 73.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.312 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 t -64.29 -34.59 78.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.184 -175.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.2 mt -71.82 -36.65 70.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.945 0.402 . . . . 0.0 110.475 175.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.477 ' HA2' ' HD2' ' A' ' 29' ' ' TYR . . . -60.88 -28.37 68.38 Favored Glycine 0 C--N 1.332 0.354 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.528 179.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.456 ' HE2' ' CZ2' ' A' ' 58' ' ' TRP . 16.2 mmtp -56.14 -49.86 72.74 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.765 0.317 . . . . 0.0 111.056 177.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.5 m -67.69 -33.72 75.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.242 -176.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.477 ' HD2' ' HA2' ' A' ' 26' ' ' GLY . 48.8 m-85 -66.89 -46.35 75.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.748 0.308 . . . . 0.0 110.18 176.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.79 -41.87 74.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.217 -175.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -68.46 -22.58 64.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.07 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -96.51 18.07 14.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 110.968 175.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 68.68 15.4 9.05 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.824 172.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -97.93 71.11 2.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.376 0.608 . . . . 0.0 109.91 175.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 93.2 m-85 -67.33 -30.72 70.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.514 179.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -56.82 -48.42 78.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.586 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.418 ' O ' ' HD2' ' A' ' 41' ' ' HIS . . . -74.64 -32.1 62.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.366 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.47 -38.69 71.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.839 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.446 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 1.8 tt -51.81 -53.76 47.52 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -172.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 18.8 Cg_endo -59.71 -33.69 96.38 Favored 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 122.106 1.871 . . . . 0.0 112.734 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.418 ' HD2' ' O ' ' A' ' 37' ' ' ALA . 60.6 m-70 -71.56 -44.41 64.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.638 0.256 . . . . 0.0 110.718 -178.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.65 -38.99 88.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.727 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 43' ' ' ARG . 32.3 ttt85 -61.98 -42.76 99.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.711 0.291 . . . . 0.0 110.603 177.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.47 -34.95 77.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.883 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.92 -47.53 62.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.011 177.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.0 mt -65.38 -29.05 69.73 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 111.892 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.2 -45.53 92.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.263 0.554 . . . . 0.0 110.298 176.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -83.31 -39.1 21.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.252 -177.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -120.0 86.54 37.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.938 0.399 . . . . 0.0 111.262 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.65 -4.24 14.97 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.924 2.416 . . . . 0.0 111.905 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.62 5.86 43.98 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -177.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.599 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 10.0 t80 -88.12 86.76 7.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.021 0.439 . . . . 0.0 110.059 179.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.591 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 3.8 m -48.71 -42.05 33.8 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.268 -178.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.599 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 38.2 t -58.8 -35.93 58.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.137 -178.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.9 -31.2 64.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.504 -176.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.591 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 6.9 m0 -61.88 -47.96 82.67 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 176.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.616 ' HE3' ' HB3' ' A' ' 94' ' ' GLU . 29.9 tttm -66.12 -36.86 84.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.553 -177.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.456 ' CZ2' ' HE2' ' A' ' 27' ' ' LYS . 23.0 m95 -74.85 -31.38 61.62 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 178.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -60.33 -45.25 94.1 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.65 -41.06 99.87 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.995 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -62.62 -36.19 81.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.844 0.354 . . . . 0.0 111.311 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.414 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 58.4 m -64.95 -42.37 94.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.604 179.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.27 -32.62 71.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.481 178.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.447 HE21 ' HH2' ' A' ' 76' ' ' TRP . 6.6 tp-100 -59.17 -49.38 78.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.383 175.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.45 -27.06 68.48 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.537 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -71.61 -16.6 62.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.075 0.465 . . . . 0.0 110.455 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.61 22.98 48.66 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.455 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -109.69 89.29 2.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -66.37 -31.37 72.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.17 -176.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.01 -49.53 60.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.321 . . . . 0.0 110.786 -178.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.4 -40.72 96.44 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.865 178.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.14 -41.95 85.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.893 0.378 . . . . 0.0 110.707 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -55.67 -51.9 65.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.274 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -70.62 -36.56 73.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.461 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.38 -40.68 89.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.611 -177.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.535 ' CD1' HD22 ' A' ' 95' ' ' LEU . 12.0 m0 -66.68 -35.66 80.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.922 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 73' ' ' ARG . 35.8 mt-10 -60.01 -40.51 89.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.051 0.453 . . . . 0.0 110.178 174.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.1 t -71.77 -37.45 70.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.125 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.09 -39.86 94.84 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.201 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.5 -47.86 84.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.33 0.11 . . . . 0.0 110.913 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.49 -32.6 74.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.697 0.284 . . . . 0.0 111.075 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.414 ' O ' ' HD2' ' A' ' 86' ' ' ARG . . . -66.97 -45.31 78.09 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.56 -39.49 84.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.803 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.66 HE21 HG21 ' A' ' 92' ' ' VAL . 22.8 mm-40 -61.4 -44.63 96.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.127 176.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.2 t -64.32 -38.98 92.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.642 178.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.414 ' HD2' ' O ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -76.05 -14.0 60.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.63 0.252 . . . . 0.0 111.469 177.308 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.54 18.28 79.87 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.445 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 92' ' ' VAL . 9.1 t0 -85.73 90.14 7.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.718 0.771 . . . . 0.0 109.767 -176.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -60.49 -41.54 94.46 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.331 -1.304 . . . . 0.0 112.108 -178.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.5 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 40.8 tt0 -56.69 -47.82 79.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.369 -177.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 68.9 t -66.6 -37.89 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.656 -174.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.66 HG21 HE21 ' A' ' 84' ' ' GLN . 67.0 t -58.88 -45.45 91.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.187 177.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.452 ' O ' HG23 ' A' ' 97' ' ' VAL . 55.9 mtmt -67.53 -41.92 83.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.968 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.616 ' HB3' ' HE3' ' A' ' 57' ' ' LYS . 30.2 mt-10 -62.6 -49.05 76.74 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.784 0.326 . . . . 0.0 111.313 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.611 HD21 ' HA ' ' A' ' 57' ' ' LYS . 51.0 mt -66.78 -32.84 74.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.035 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.502 ' HA ' HD12 ' A' ' 99' ' ' LEU . 36.3 tt0 -61.66 -30.69 70.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.684 179.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 93' ' ' LYS . 99.1 t -62.0 -41.66 91.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.569 177.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.431 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 45.5 m-85 -67.15 -34.76 78.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.685 -179.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 96' ' ' GLN . 97.5 mt -58.45 -37.24 75.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.231 179.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.455 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 16.0 mtt-85 -64.51 -45.27 87.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 109.831 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -66.18 -38.72 88.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.855 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.417 HD23 HE22 ' A' ' 64' ' ' GLN . 2.2 tm? -64.86 -43.21 93.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.441 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.83 -32.34 71.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.649 -178.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 98.2 mtt180 -59.37 -40.27 85.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.745 0.307 . . . . 0.0 111.026 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -69.36 -42.78 74.77 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.769 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.09 -46.6 86.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.283 0.563 . . . . 0.0 110.526 178.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 114.736 -1.12 . . . . 0.0 112.104 -177.849 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -71.55 171.12 11.97 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.166 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 73.53 114.23 0.06 Allowed 'General case' 0 N--CA 1.465 0.312 0 O-C-N 124.072 0.858 . . . . 0.0 110.912 -177.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.469 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 51.1 mm -63.66 -38.05 81.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.076 -177.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.447 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 11.6 p -59.07 -46.3 88.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.336 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -60.8 -44.44 96.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.998 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -73.26 -32.03 64.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.601 0.239 . . . . 0.0 111.321 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 50.9 mt -66.64 -34.02 76.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.085 177.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 5' ' ' THR . 63.1 mm-40 -51.64 -32.84 30.85 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.381 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.86 -49.53 75.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.432 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.43 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 24.3 ptm -76.06 -26.87 56.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.73 0.3 . . . . 0.0 111.175 -177.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.34 -32.89 74.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.381 174.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.14 -6.65 53.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.093 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -92.45 0.48 57.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.331 . . . . 0.0 110.966 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.81 22.71 57.45 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.725 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.6 m -93.55 75.08 4.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.563 0.696 . . . . 0.0 109.744 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.411 ' C ' HD22 ' A' ' 18' ' ' ASN . 7.0 p-10 -81.46 93.3 6.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.541 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.726 ' HB2' HD13 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -111.9 168.19 9.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.261 -178.262 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.3 ttt -69.16 -58.04 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.655 -176.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 20' ' ' LEU . 3.8 mm? -65.04 -27.6 68.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.48 -173.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.726 HD13 ' HB2' ' A' ' 18' ' ' ASN . 11.1 mp -61.92 -30.01 70.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.027 0.441 . . . . 0.0 110.736 178.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.5 mtt-85 -70.25 -43.05 71.35 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -69.75 -49.12 56.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.289 -175.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.1 m -56.33 -43.42 79.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.663 0.268 . . . . 0.0 111.418 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.16 -36.27 83.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.014 0.435 . . . . 0.0 111.011 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.4 -37.76 62.61 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.339 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -58.31 -41.32 84.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.73 0.3 . . . . 0.0 111.007 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 m -59.32 -39.75 84.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.34 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -64.72 -42.23 95.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.991 0.424 . . . . 0.0 110.399 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.14 -35.55 74.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.358 -176.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -68.53 -31.23 70.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.736 0.303 . . . . 0.0 110.878 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -84.59 6.84 22.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.459 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.416 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 24.6 mt-10 61.66 25.35 15.27 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.239 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.578 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 5.1 tp60 -96.26 47.48 1.08 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.989 0.9 . . . . 0.0 108.642 177.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.692 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 81.1 m-85 -55.98 -28.76 58.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.685 -176.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -58.73 -49.37 77.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.342 0.591 . . . . 0.0 110.479 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.566 ' HB3' ' HG3' ' A' ' 34' ' ' GLN . . . -74.19 -27.26 60.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.687 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.19 -37.78 86.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.334 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.3 mt -51.24 -54.5 37.61 Favored Pre-proline 0 N--CA 1.468 0.44 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -174.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -63.53 -37.67 46.57 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 121.77 1.647 . . . . 0.0 112.314 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -70.98 -43.99 66.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.822 -176.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.77 -36.09 75.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.813 0.339 . . . . 0.0 110.607 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -63.74 -40.17 96.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.582 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.29 -39.94 92.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.629 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.88 -45.78 77.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.942 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.7 -26.02 67.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.868 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -67.28 -40.46 86.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.075 0.464 . . . . 0.0 110.25 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -82.04 -45.0 15.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.284 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.86 86.31 13.64 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 121.752 0.787 . . . . 0.0 111.36 -177.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -80.13 -3.81 12.87 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.855 2.37 . . . . 0.0 113.01 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.1 p -91.25 15.1 12.61 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -174.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.547 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 19.0 t80 -90.88 99.5 12.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.131 0.491 . . . . 0.0 110.428 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.643 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 7.7 p -52.06 -45.18 64.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.129 -0.942 . . . . 0.0 113.318 -176.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.547 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 21.2 t -58.63 -35.51 55.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.874 0.368 . . . . 0.0 110.719 -178.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.89 -38.01 89.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.026 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.643 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 8.5 m0 -60.08 -41.58 92.74 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.783 0.801 . . . . 0.0 109.284 178.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.888 ' HA ' HD21 ' A' ' 95' ' ' LEU . 58.4 tttm -65.22 -35.6 81.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.446 -1.252 . . . . 0.0 111.356 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 87.6 m95 -72.84 -37.76 67.33 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 121.21 -0.196 . . . . 0.0 110.929 176.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.75 -44.6 81.91 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.104 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.456 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -56.76 -44.27 91.77 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.044 176.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.483 ' HA ' ' HG2' ' A' ' 64' ' ' GLN . 43.9 mtpt -66.31 -26.49 67.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 111.373 177.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.692 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 33.3 m -66.62 -49.23 66.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.977 -177.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.5 -41.8 96.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.704 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.483 ' HG2' ' HA ' ' A' ' 61' ' ' LYS . 3.4 pt20 -69.08 -36.0 77.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.909 0.385 . . . . 0.0 110.57 -178.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.423 ' HA3' ' CE2' ' A' ' 35' ' ' PHE . . . -72.13 -34.59 61.35 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.902 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -63.07 -35.73 81.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.323 0.582 . . . . 0.0 109.75 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.25 25.89 5.11 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.426 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -114.08 99.99 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.102 0.477 . . . . 0.0 109.853 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.547 ' HG3' HD11 ' A' ' 102' ' ' LEU . 41.2 ttm105 -65.26 -38.64 90.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.398 -176.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.29 -45.98 74.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.922 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.95 -40.74 97.32 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.388 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.57 97.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.839 0.352 . . . . 0.0 110.663 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -56.12 -52.75 63.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.528 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -66.44 -34.8 78.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.152 -176.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.87 -50.04 73.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.45 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.58 ' CD1' HD22 ' A' ' 95' ' ' LEU . 11.1 m0 -66.85 -36.56 82.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.264 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -60.22 -38.38 83.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.996 0.427 . . . . 0.0 110.796 175.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 m -73.55 -43.86 58.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.926 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.04 -25.08 74.56 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 121.055 -0.593 . . . . 0.0 113.231 -176.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.1 tp -59.47 -53.22 60.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.219 0.533 . . . . 0.0 110.484 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.55 -29.79 70.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.294 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.51 88.76 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.541 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -67.97 -36.93 80.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.799 178.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.31 -46.37 90.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.028 174.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.7 t -64.51 -27.45 68.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.205 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.629 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 24.1 mmm180 -89.12 -8.29 54.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.31 . . . . 0.0 111.559 176.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.81 28.72 71.66 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.193 -0.527 . . . . 0.0 112.793 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.457 ' O ' HG23 ' A' ' 92' ' ' VAL . 7.0 t70 -101.61 86.54 2.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.455 0.645 . . . . 0.0 109.932 -178.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -59.7 -35.58 74.77 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.732 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.575 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 9.6 tt0 -57.99 -48.34 80.3 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.179 0.299 . . . . 0.0 110.672 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.2 t -68.8 -37.69 77.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.642 -176.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 88' ' ' ASP . 94.4 t -57.47 -50.7 76.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.079 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.516 ' O ' HG23 ' A' ' 97' ' ' VAL . 59.4 mtmt -67.94 -39.6 83.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.83 -178.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 25.4 mt-10 -59.09 -49.55 77.45 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.949 0.404 . . . . 0.0 111.119 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.888 HD21 ' HA ' ' A' ' 57' ' ' LYS . 60.9 mt -69.77 -33.75 72.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.83 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.699 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 28.8 tt0 -59.96 -42.19 93.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 93' ' ' LYS . 97.5 t -59.96 -45.53 95.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 120.954 0.406 . . . . 0.0 110.917 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -65.6 -38.61 89.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.589 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.513 HD13 ' HB2' ' A' ' 76' ' ' TRP . 53.1 tp -62.5 -32.75 73.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.145 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.699 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 1.1 mmp_? -71.14 -48.89 49.34 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 121.326 0.584 . . . . 0.0 109.884 178.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -57.49 -38.87 75.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.214 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.547 HD11 ' HG3' ' A' ' 69' ' ' ARG . 33.8 tp -64.45 -37.48 87.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.233 0.54 . . . . 0.0 110.509 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.41 -30.34 71.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.224 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 86.0 mtt-85 -65.12 -28.92 69.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.206 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -74.22 -39.58 63.0 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.005 0.431 . . . . 0.0 110.107 174.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 110' ' ' HIS . 19.2 t70 -59.24 -39.97 84.47 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.761 0.791 . . . . 0.0 109.405 174.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.73 ' HA ' ' H ' ' A' ' 112' ' ' HIS . . . -55.48 -28.53 55.07 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.794 177.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 94.4 mt -81.04 -54.19 5.76 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -84.34 -30.61 25.36 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.531 0.682 . . . . 0.0 112.233 -172.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 106' ' ' ASP . 12.4 t-80 -105.2 3.67 30.39 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.374 -176.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.443 ' HA ' ' O ' ' A' ' 107' ' ' ALA . 19.1 t60 47.55 58.98 4.43 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.869 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.73 ' H ' ' HA ' ' A' ' 107' ' ' ALA . 77.6 t60 -97.48 15.46 23.12 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 169.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -62.31 149.52 41.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.098 -1.41 . . . . 0.0 110.24 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -56.88 -27.71 60.89 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.004 0.431 . . . . 0.0 110.889 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.621 -0.704 . . . . 0.0 109.25 175.02 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.482 1.163 0 CA-C-O 120.693 0.282 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -133.18 146.76 51.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.151 0.501 . . . . 0.0 109.943 175.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.15 81.3 1.7 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.53 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.461 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 63.8 mt -60.15 -40.49 83.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.337 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.3 t -59.1 -31.83 69.27 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.216 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -65.51 -46.75 78.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.007 0.432 . . . . 0.0 111.023 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 4' ' ' ILE . 7.3 ppt_? -73.3 -31.25 63.92 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.782 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.595 ' HB3' HD11 ' A' ' 25' ' ' LEU . 77.3 mt -64.46 -41.74 96.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.551 175.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -66.41 -33.88 76.7 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.322 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.89 -47.57 85.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.077 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 88.0 mtp -61.45 -36.8 81.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.619 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 16' ' ' THR . 31.8 tp -58.41 -46.77 85.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.049 175.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.47 -15.33 59.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.658 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -83.32 5.43 23.32 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.02 38.73 1.8 Allowed Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.838 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.442 ' O ' HD12 ' A' ' 12' ' ' LEU . 12.3 m -136.43 56.94 1.79 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.336 0.589 . . . . 0.0 109.486 173.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -68.33 82.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.07 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.456 ' HB3' ' HB3' ' A' ' 21' ' ' LEU . 25.0 t-20 -117.75 155.93 29.16 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.472 -171.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 23.3 ttt -81.4 -58.64 2.94 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.89 -175.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.6 tp -62.15 -34.71 76.9 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.954 0.407 . . . . 0.0 110.527 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.456 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . 3.3 tm? -59.75 -57.0 14.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.9 176.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.509 ' HA ' HD13 ' A' ' 25' ' ' LEU . 6.6 ptm180 -68.04 -24.54 65.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.61 0.243 . . . . 0.0 110.742 -176.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -66.07 -36.75 84.04 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.462 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.3 m -58.72 -41.54 86.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.456 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.595 HD11 ' HB3' ' A' ' 8' ' ' LEU . 7.8 mp -59.64 -37.5 78.84 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.476 177.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.69 -45.2 96.85 Favored Glycine 0 C--N 1.333 0.393 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.124 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 48.6 mtpt -61.81 -42.72 99.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.953 0.406 . . . . 0.0 110.36 176.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.0 m -59.08 -40.05 84.03 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.478 -177.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -62.77 -44.41 96.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.751 0.31 . . . . 0.0 110.429 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.04 -37.98 85.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.096 -177.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 27' ' ' LYS . 47.0 mt-10 -71.08 -26.07 62.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.201 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -97.11 18.99 13.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.352 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 68.51 21.1 8.24 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.581 0.705 . . . . 0.0 111.115 173.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.501 ' HG3' ' HB3' ' A' ' 37' ' ' ALA . 17.2 tp60 -97.18 46.1 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.509 ' HB3' HG23 ' A' ' 62' ' ' THR . 92.5 m-85 -50.85 -47.12 60.4 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.861 -1.063 . . . . 0.0 113.054 -170.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -60.99 -39.82 91.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.066 0.46 . . . . 0.0 111.331 -174.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.501 ' HB3' ' HG3' ' A' ' 34' ' ' GLN . . . -74.25 -27.98 61.01 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.809 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.77 -37.88 82.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.47 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.65 HD12 HE21 ' A' ' 66' ' ' GLN . 30.8 mt -55.9 -53.88 58.17 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -174.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.541 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 16.7 Cg_exo -67.65 -37.74 15.8 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 121.886 1.724 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -63.74 -38.84 92.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.599 -1.182 . . . . 0.0 110.474 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.503 HD23 HD23 ' A' ' 59' ' ' LEU . 35.1 tp -71.58 -36.65 70.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.587 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 57.2 mtt180 -60.45 -33.03 71.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.866 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.35 88.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.01 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.83 -42.27 73.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.025 0.44 . . . . 0.0 110.649 177.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.81 -26.28 68.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.028 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.96 -36.4 83.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.248 0.547 . . . . 0.0 110.493 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -80.91 -43.41 19.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.928 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -141.97 88.87 9.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.804 0.335 . . . . 0.0 110.851 -177.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.76 -7.47 19.61 Favored 'Trans proline' 0 CA--C 1.527 0.156 0 C-N-CA 122.611 2.207 . . . . 0.0 112.228 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.551 ' HB ' ' HD3' ' A' ' 86' ' ' ARG . 4.4 p -96.55 12.4 31.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.502 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.449 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 12.2 t80 -73.08 95.93 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.072 0.463 . . . . 0.0 109.829 178.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.598 ' HB3' HG21 ' A' ' 91' ' ' VAL . 5.7 m -53.15 -42.59 66.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.033 -0.985 . . . . 0.0 112.865 -173.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.449 ' HB ' ' CE1' ' A' ' 52' ' ' TYR . 74.4 t -61.08 -36.19 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.959 0.409 . . . . 0.0 110.828 -177.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.67 -32.18 71.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.482 -176.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.904 ' HH2' ' HG3' ' A' ' 86' ' ' ARG . 20.1 m0 -60.11 -43.37 95.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.449 0.643 . . . . 0.0 110.195 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.729 ' HA ' HD21 ' A' ' 95' ' ' LEU . 36.1 ttmt -64.16 -44.8 90.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.849 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -68.41 -35.94 78.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.43 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.503 HD23 HD23 ' A' ' 42' ' ' LEU . 1.2 tm? -59.38 -51.05 71.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.11 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.65 -40.5 98.84 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.538 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -59.0 -43.43 91.5 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.177 0.513 . . . . 0.0 110.874 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.509 HG23 ' HB3' ' A' ' 35' ' ' PHE . 19.4 m -69.52 -37.08 76.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.375 -175.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.7 mt -63.55 -33.94 76.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? -65.03 -43.71 91.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.09 -20.16 70.71 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.732 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.65 HE21 HD12 ' A' ' 39' ' ' LEU . 15.7 mm-40 -74.21 -23.53 59.21 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.707 0.289 . . . . 0.0 110.796 177.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.23 -5.74 33.98 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.098 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -82.67 89.19 6.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.587 0.708 . . . . 0.0 109.905 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.548 HH22 ' HG2' ' A' ' 109' ' ' GLU . 48.9 ttt180 -57.14 -44.72 83.63 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.978 -177.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.61 -49.11 61.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 111.575 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.14 -40.97 97.91 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.872 -177.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.45 98.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.922 0.391 . . . . 0.0 111.259 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -66.49 -48.64 69.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.086 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -64.37 -34.42 78.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.186 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.18 -45.93 86.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.933 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.494 ' HB3' HD21 ' A' ' 99' ' ' LEU . 10.9 m0 -70.07 -36.19 74.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -60.8 -40.86 94.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.199 0.523 . . . . 0.0 110.177 175.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.2 t -70.88 -42.43 70.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.231 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.07 -30.9 79.07 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.388 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 80' ' ' LEU . 8.0 tp -62.34 -45.92 91.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.894 0.378 . . . . 0.0 110.327 178.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.7 -31.11 72.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.168 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.26 87.68 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 173.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.0 86.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.76 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -60.19 -50.8 72.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.448 174.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.5 m -59.39 -35.63 74.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.236 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.904 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 8.6 mmm180 -76.66 -16.4 59.55 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.15 9.56 60.61 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.318 -174.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.475 ' O ' HG23 ' A' ' 92' ' ' VAL . 5.3 m-20 -75.42 86.58 2.57 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.785 0.802 . . . . 0.0 110.58 -176.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -57.92 -44.16 86.67 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.307 -1.315 . . . . 0.0 112.739 -175.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.539 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 62.9 tt0 -63.31 -40.09 96.38 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.95 -175.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.598 HG21 ' HB3' ' A' ' 53' ' ' SER . 96.5 t -67.68 -37.86 79.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.437 -178.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 88' ' ' ASP . 90.7 t -58.36 -46.27 89.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.054 176.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.55 -38.35 90.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.651 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 35.7 mt-10 -69.4 -49.75 52.35 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.908 0.385 . . . . 0.0 111.036 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.729 HD21 ' HA ' ' A' ' 57' ' ' LYS . 26.6 mt -66.84 -32.0 72.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.093 -178.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.522 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 42.6 tt0 -58.2 -32.04 67.89 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.181 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 51.6 t -60.51 -38.76 79.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.05 0.452 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.41 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 98.0 m-85 -65.67 -38.85 90.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.008 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 76' ' ' TRP . 3.6 mm? -60.16 -38.65 83.83 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.88 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.554 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 38.0 mtt180 -67.41 -49.32 64.3 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-O 122.212 1.006 . . . . 0.0 109.935 -175.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -66.42 -43.39 85.85 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 113.618 -1.628 . . . . 0.0 110.963 -175.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.456 HD22 ' HZ3' ' A' ' 76' ' ' TRP . 43.4 tp -69.62 -39.33 77.26 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.044 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.82 -35.82 75.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.279 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 41.1 mtp85 -58.74 -41.69 87.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.083 0.468 . . . . 0.0 110.873 178.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -72.51 -42.17 65.11 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.915 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -71.24 -46.99 59.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.805 -176.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.43 -45.06 95.89 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.301 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.8 mt -79.83 -17.71 52.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.608 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.548 ' HG2' HH22 ' A' ' 69' ' ' ARG . 35.8 mt-10 52.25 54.3 10.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.565 -177.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 61.63 34.26 17.74 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.767 0.794 . . . . 0.0 109.643 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 62.11 18.33 9.93 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.633 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 61.33 22.15 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.335 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -81.92 85.53 6.67 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 172.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 60.59 139.98 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.609 0 O-C-N 124.688 1.243 . . . . 0.0 110.675 -166.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 15.4 t60 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.298 -0.858 . . . . 0.0 109.617 -179.655 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.888 0.375 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -125.11 171.17 10.5 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.273 176.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 67.83 165.83 0.24 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-O 122.041 0.924 . . . . 0.0 111.355 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.6 mm -71.49 -25.38 24.74 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.3 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -52.83 56.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -174.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -61.23 -38.47 86.75 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.782 0.325 . . . . 0.0 111.754 -174.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -73.61 -42.75 61.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.304 -176.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.53 ' HB2' HD21 ' A' ' 25' ' ' LEU . 35.2 mt -68.34 -45.8 71.88 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.174 -0.211 . . . . 0.0 111.16 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -59.18 -35.06 72.91 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.553 0.216 . . . . 0.0 111.024 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.609 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -69.12 -50.25 49.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.309 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.4 ptm -72.94 -31.82 64.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.166 -176.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.536 HD13 HD12 ' A' ' 25' ' ' LEU . 9.4 tt -62.54 -44.51 96.18 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.31 -18.8 63.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.457 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 28.9 mm-40 -79.25 -8.7 59.24 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.864 0.364 . . . . 0.0 110.585 177.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.44 -6.97 24.64 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.922 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -85.08 70.38 10.9 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.12 0.486 . . . . 0.0 110.505 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.499 ' HB2' ' HG ' ' A' ' 12' ' ' LEU . 21.0 t70 -152.0 162.64 40.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.304 177.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -158.55 -58.96 0.07 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.238 -0.892 . . . . 0.0 108.917 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -158.21 -40.73 0.06 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.215 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.2 tt -53.96 -56.57 16.62 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.845 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 mp -67.09 -46.55 73.91 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.27 -0.172 . . . . 0.0 111.139 -174.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -55.67 -42.57 75.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.328 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.433 ' HE1' ' HB2' ' A' ' 55' ' ' ALA . 87.1 t80 -65.04 -44.76 88.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 110.357 176.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.4 m -62.73 -41.16 99.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.052 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.536 HD12 HD13 ' A' ' 12' ' ' LEU . 30.8 mt -63.42 -43.18 98.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.915 178.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.94 -45.4 95.18 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.464 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 87.5 tttt -61.7 -40.13 93.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.044 0.45 . . . . 0.0 110.488 176.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.5 m -64.72 -38.8 92.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.174 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -62.12 -39.69 93.42 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.321 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.94 -38.93 92.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.766 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 27' ' ' LYS . 51.2 mt-10 -69.05 -23.28 64.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.955 0.407 . . . . 0.0 110.811 177.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -93.48 8.61 39.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.391 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.409 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 33.1 tt0 62.6 27.14 16.06 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.729 0.776 . . . . 0.0 110.633 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -110.08 47.6 0.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.497 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 76.8 m-85 -53.21 -32.62 49.04 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 114.691 -1.141 . . . . 0.0 112.328 -172.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -55.48 -45.47 76.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.225 0.536 . . . . 0.0 110.819 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.65 -27.78 60.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.901 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.71 77.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.587 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 35' ' ' PHE . 94.0 mt -52.77 -54.28 45.13 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -173.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 18.3 Cg_endo -61.29 -42.56 34.07 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 121.994 1.796 . . . . 0.0 112.654 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -70.82 -36.66 73.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 -176.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.2 tp -70.74 -37.37 73.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.302 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -66.31 -39.44 89.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.485 177.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.73 -31.71 71.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.982 0.42 . . . . 0.0 110.851 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.68 -41.99 91.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.521 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 55' ' ' ALA . 72.1 mt -73.09 -25.62 60.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.485 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.0 -43.84 94.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.125 0.488 . . . . 0.0 109.753 176.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -82.07 -43.29 18.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.94 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -128.34 87.76 54.38 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.969 0.414 . . . . 0.0 111.161 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -71.02 -4.5 15.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.883 2.389 . . . . 0.0 112.07 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.401 ' HA ' ' HZ2' ' A' ' 56' ' ' TRP . 9.1 p -101.03 16.16 26.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.567 -176.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -87.37 89.28 7.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.006 0.431 . . . . 0.0 110.205 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.605 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 2.3 m -50.86 -41.46 58.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.821 -176.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.7 t -58.11 -39.17 71.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.949 0.404 . . . . 0.0 111.002 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.609 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -69.61 -28.76 66.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.432 -176.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.605 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 34.7 m0 -63.63 -49.03 74.88 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.207 0.527 . . . . 0.0 109.964 -178.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.985 ' HA ' HD21 ' A' ' 95' ' ' LEU . 84.5 tttt -67.64 -34.63 77.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.947 178.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -68.71 -27.67 66.16 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 84.3 mt -55.25 -51.56 66.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.018 0.437 . . . . 0.0 110.707 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.662 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -63.61 -41.58 99.06 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.572 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -58.91 -44.8 91.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.009 0.433 . . . . 0.0 110.706 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.1 m -65.0 -42.35 94.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.798 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.56 -31.28 69.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.657 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -67.34 -36.4 81.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.925 0.393 . . . . 0.0 110.537 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.15 -36.25 64.0 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.613 175.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -67.25 -38.38 85.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.817 0.341 . . . . 0.0 110.371 177.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.9 9.29 26.61 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.626 177.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -94.82 87.59 5.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.267 0.556 . . . . 0.0 110.244 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.578 ' HB2' HD11 ' A' ' 102' ' ' LEU . 13.2 ptt-85 -66.48 -33.94 76.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.356 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.32 -48.21 68.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.938 0.399 . . . . 0.0 110.546 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.38 -38.48 95.88 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.245 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.38 -42.96 99.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 110.456 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -58.9 -50.87 72.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.964 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -58.22 -43.84 87.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.879 177.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.49 -47.72 80.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.553 -177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.662 ' NE1' ' HA3' ' A' ' 60' ' ' GLY . 13.7 m0 -63.21 -39.62 95.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.209 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.21 -37.5 85.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.918 0.39 . . . . 0.0 110.596 175.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.1 m -71.01 -46.39 62.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.38 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.63 -30.38 74.73 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.669 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.7 tp -61.64 -53.25 58.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.119 0.485 . . . . 0.0 110.119 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.14 -31.68 72.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.061 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.99 -47.58 77.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.059 0.457 . . . . 0.0 109.774 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.564 ' HA ' ' CZ3' ' A' ' 56' ' ' TRP . . . -63.64 -43.28 97.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.866 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -59.74 -45.48 92.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.124 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 m -66.59 -27.79 68.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.618 ' HA ' ' NE ' ' A' ' 86' ' ' ARG . 5.1 mmp_? -96.47 -13.46 23.07 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.0 22.16 39.64 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.147 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.511 ' O ' HG23 ' A' ' 92' ' ' VAL . 34.0 m-20 -89.54 78.0 7.14 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.323 0.582 . . . . 0.0 110.103 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -60.54 -38.8 85.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.535 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -57.48 -44.84 85.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.431 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.534 HG21 ' HB3' ' A' ' 53' ' ' SER . 47.3 t -68.13 -38.5 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.632 -178.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 88' ' ' ASP . 99.2 t -57.91 -50.9 76.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.323 178.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.48 ' O ' HG23 ' A' ' 97' ' ' VAL . 53.7 mtmt -67.08 -36.55 82.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.818 -177.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -64.01 -49.5 72.17 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.75 0.31 . . . . 0.0 111.609 176.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.985 HD21 ' HA ' ' A' ' 57' ' ' LYS . 54.4 mt -68.5 -32.51 72.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.118 -178.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.484 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 62.5 tt0 -57.6 -40.6 79.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.709 176.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.527 ' O ' ' HG3' ' A' ' 101' ' ' ARG . 88.9 t -62.45 -43.59 98.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.014 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.42 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 61.2 m-85 -60.99 -39.73 90.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.338 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 70.5 mt -57.97 -37.93 75.1 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.103 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.497 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 26.6 mtp180 -69.14 -47.48 64.94 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.725 0.774 . . . . 0.0 109.91 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' A' ' 97' ' ' VAL . 52.4 mtp85 -59.47 -41.24 89.29 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.776 -179.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.578 HD11 ' HB2' ' A' ' 69' ' ' ARG . 50.5 tp -67.95 -36.75 80.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.727 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.09 -31.14 72.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.205 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.664 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 81.6 mtt-85 -56.66 -44.89 81.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.231 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -64.76 -40.3 95.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.417 0.627 . . . . 0.0 110.855 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -71.29 -44.65 64.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.404 -174.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.615 ' HA ' ' HA ' ' A' ' 112' ' ' HIS . . . -61.74 -26.2 67.92 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.133 -0.939 . . . . 0.0 111.764 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 104' ' ' ARG . 56.7 mt -55.92 -51.95 65.83 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -175.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -88.71 -95.62 0.1 Allowed 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.012 -0.675 . . . . 0.0 112.63 -167.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -116.05 -17.18 10.95 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.858 -173.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.72 45.35 1.22 Allowed 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.615 ' HA ' ' HA ' ' A' ' 107' ' ' ALA . 70.3 t60 -69.42 -28.5 66.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.64 -168.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 72.55 -82.18 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.276 0.63 . . . . 0.0 112.442 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -112.34 134.64 53.77 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -170.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 . . . . . 0 C--O 1.252 1.201 0 O-C-N 124.112 0.883 . . . . 0.0 111.568 175.817 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mtp . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.04 148.02 25.45 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 175.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.563 ' HB3' ' HG3' ' A' ' 6' ' ' GLU . . . -121.24 138.97 53.99 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.396 0.617 . . . . 0.0 110.988 -175.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.481 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 63.9 mt -57.67 -34.05 46.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.597 178.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 p -60.8 -34.17 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.816 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.563 ' HG3' ' HB3' ' A' ' 3' ' ' ALA . 45.0 mt-10 -60.78 -47.91 84.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.012 0.434 . . . . 0.0 110.815 -178.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 4' ' ' ILE . 18.2 ptp180 -73.75 -31.36 63.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.796 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 76.2 mt -63.22 -51.41 66.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.749 176.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -53.1 -40.13 63.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.079 0.466 . . . . 0.0 110.351 177.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.9 -49.27 68.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.652 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.532 ' HG3' HD22 ' A' ' 12' ' ' LEU . 24.2 ptm -72.44 -32.02 65.94 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.606 0.225 . . . . 0.0 111.606 -175.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.532 HD22 ' HG3' ' A' ' 11' ' ' MET . 4.2 mm? -73.43 -50.56 21.08 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.037 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.78 -21.61 66.51 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -173.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -98.03 16.54 20.78 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 122.204 -0.31 . . . . 0.0 111.234 -175.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.31 -58.35 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.524 -0.845 . . . . 0.0 112.051 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.7 m -140.01 86.49 2.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.906 0.384 . . . . 0.0 110.375 -177.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -72.06 -79.79 0.07 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 54.49 -162.95 0.13 Allowed 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.559 174.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -118.18 -33.32 4.44 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.1 mt -73.51 0.49 12.33 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.479 -0.782 . . . . 0.0 113.074 -171.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.8 mp -125.08 -44.27 1.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.122 0.487 . . . . 0.0 110.963 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -81.07 -7.57 59.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.713 -172.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -69.8 -32.66 71.23 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.683 0.278 . . . . 0.0 110.622 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.3 m -57.29 -33.78 68.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.489 -177.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.6 mp -58.55 -32.97 69.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.108 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.89 -37.78 86.08 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.026 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -61.02 -48.87 79.81 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.114 0.483 . . . . 0.0 109.86 173.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 m -57.64 -42.49 83.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.425 -176.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -60.39 -44.67 95.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.747 177.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.17 -39.28 71.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.076 -176.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -67.01 -31.91 72.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.88 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -88.14 13.91 10.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.656 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 68.45 20.5 8.5 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.498 171.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -103.94 71.67 1.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.586 0.708 . . . . 0.0 109.144 175.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.457 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 62.9 m-85 -66.7 -38.6 87.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.347 -177.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.01 -45.94 86.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.091 -176.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.72 -28.61 62.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.984 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.09 -37.69 72.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.521 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.46 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 89.0 mt -51.79 -55.09 33.21 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -173.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.46 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 64.6 Cg_endo -74.63 -26.55 11.6 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 121.474 1.45 . . . . 0.0 111.768 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -72.5 -45.88 57.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.479 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.2 tp -71.79 -43.43 65.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.114 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -63.75 -32.11 73.51 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.014 -0.275 . . . . 0.0 110.7 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.01 92.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.867 0.365 . . . . 0.0 110.438 175.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.73 88.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.722 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.545 HD21 ' HB3' ' A' ' 55' ' ' ALA . 55.0 mt -66.71 -26.02 66.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.325 177.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.39 -39.36 85.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.218 0.532 . . . . 0.0 109.93 176.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -77.88 -44.59 26.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.203 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -133.23 87.1 39.74 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 120.979 0.418 . . . . 0.0 110.265 -177.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.21 -3.74 14.22 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.741 2.294 . . . . 0.0 112.677 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.1 m -86.26 -11.5 52.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 -176.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.477 ' CZ ' ' HB ' ' A' ' 54' ' ' VAL . 13.8 t80 -74.32 94.27 2.5 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.539 0.685 . . . . 0.0 110.871 -178.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.597 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 4.9 p -60.72 -37.9 83.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.945 -1.025 . . . . 0.0 113.199 -175.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.477 ' HB ' ' CZ ' ' A' ' 52' ' ' TYR . 48.0 t -57.71 -36.4 54.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.827 0.346 . . . . 0.0 110.996 -177.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.545 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -67.96 -28.21 67.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.425 -177.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.597 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 30.8 m0 -59.27 -46.4 88.62 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.464 0.65 . . . . 0.0 109.585 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.794 ' HA ' HD21 ' A' ' 95' ' ' LEU . 81.5 tttt -66.0 -36.47 83.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.091 -0.958 . . . . 0.0 111.464 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -71.16 -37.61 72.21 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -56.95 -43.3 81.43 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 120.944 0.402 . . . . 0.0 110.811 -175.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.495 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -64.87 -34.87 91.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.408 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -62.72 -39.77 95.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 111.106 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.47 -32.42 66.23 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.856 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' A' ' 75' ' ' ALA . 34.1 mt -69.72 -34.85 74.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.711 0.291 . . . . 0.0 110.704 175.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -59.26 -36.52 75.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.393 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.29 -16.86 63.17 Favored Glycine 0 CA--C 1.52 0.358 0 CA-C-N 115.837 -0.619 . . . . 0.0 113.077 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -78.24 -15.12 59.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.672 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.25 -3.15 75.86 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.308 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -93.33 92.52 7.72 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.466 ' HB2' HD11 ' A' ' 102' ' ' LEU . 37.9 ptt180 -64.58 -31.35 72.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.882 -175.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.08 -50.41 55.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.733 0.301 . . . . 0.0 111.301 -177.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.21 -35.83 78.17 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.787 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.54 -51.16 71.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.256 . . . . 0.0 111.116 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.616 ' HB3' HD23 ' A' ' 102' ' ' LEU . 23.5 ptt180 -69.24 -33.99 74.12 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.083 -178.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -57.14 -38.99 74.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.607 0.241 . . . . 0.0 111.055 175.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -63.09 -41.48 99.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.004 0.431 . . . . 0.0 110.758 177.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.598 ' CE3' ' HA ' ' A' ' 73' ' ' ARG . 13.6 m0 -66.85 -39.61 87.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.577 178.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.38 -38.28 88.96 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.917 0.389 . . . . 0.0 110.758 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.9 m -68.5 -43.75 76.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.817 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.74 -28.27 73.68 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.958 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.34 -49.33 78.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.989 0.423 . . . . 0.0 110.171 177.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.27 -33.37 75.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.144 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.32 -41.73 96.68 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.3 -42.12 72.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.65 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.497 HE21 HG21 ' A' ' 92' ' ' VAL . 17.3 mm-40 -57.56 -45.84 84.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.811 176.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.5 t -58.3 -39.54 79.63 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.506 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -84.11 -13.53 52.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.73 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.3 24.7 60.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.923 -178.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.448 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.4 OUTLIER -91.97 82.61 5.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.668 0.747 . . . . 0.0 110.504 -176.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -58.22 -43.13 87.56 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.377 -1.283 . . . . 0.0 112.54 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -59.24 -40.07 84.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.711 0.291 . . . . 0.0 110.624 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.4 t -66.53 -40.78 87.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.989 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.497 HG21 HE21 ' A' ' 84' ' ' GLN . 77.6 t -59.49 -45.87 93.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.363 176.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.441 ' O ' HG23 ' A' ' 97' ' ' VAL . 75.8 mmtt -60.71 -47.52 85.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.105 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.48 -45.9 87.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.801 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.794 HD21 ' HA ' ' A' ' 57' ' ' LYS . 84.6 mt -69.24 -37.68 78.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.368 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.61 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 44.7 mt-30 -60.29 -29.88 69.12 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 111.462 0.171 . . . . 0.0 111.462 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 93' ' ' LYS . 93.6 t -59.92 -41.44 85.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-O 120.877 0.37 . . . . 0.0 110.629 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -67.3 -39.03 85.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.575 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.85 -35.46 78.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.577 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.666 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 45.2 mmt-85 -69.7 -53.44 18.53 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 121.161 0.505 . . . . 0.0 110.581 -175.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -59.13 -43.17 91.96 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.952 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.616 HD23 ' HB3' ' A' ' 73' ' ' ARG . 37.6 tp -67.2 -36.01 80.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.126 0.488 . . . . 0.0 110.492 -178.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.41 -32.1 68.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.316 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.666 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 62.0 mtp85 -62.45 -41.07 98.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.596 0.236 . . . . 0.0 111.038 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -62.91 -40.0 96.24 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.015 0.435 . . . . 0.0 110.599 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -68.47 -43.22 77.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.5 177.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.5 -28.54 63.53 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.778 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 104' ' ' ARG . 96.7 mt -68.53 -35.91 78.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.835 0.35 . . . . 0.0 110.628 176.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -85.75 -25.15 26.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.857 0.837 . . . . 0.0 110.329 -177.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -104.04 21.04 17.13 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.383 177.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -63.75 -31.28 72.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.174 -169.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 13.0 m170 58.4 79.42 0.21 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.843 0.354 . . . . 0.0 111.699 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -159.95 -69.45 0.07 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 174.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 65.0 t60 68.28 148.98 0.06 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.82 0.7 . . . . 0.0 110.419 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.572 -0.728 . . . . 0.0 110.692 178.093 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 120.887 0.375 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.425 ' HG3' ' H ' ' A' ' 3' ' ' ALA . 13.7 tp60 -136.17 -179.29 5.58 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -174.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.425 ' H ' ' HG3' ' A' ' 2' ' ' GLN . . . 69.48 149.11 0.07 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.945 0.879 . . . . 0.0 112.115 176.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.464 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 75.5 mt -70.45 -29.75 40.03 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.995 178.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 p -62.81 -40.01 96.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.106 -177.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.429 ' HA ' ' HG2' ' A' ' 9' ' ' GLU . 21.6 mt-10 -63.22 -45.77 90.08 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -68.41 -32.57 72.72 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.566 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 84.5 mt -67.28 -49.93 62.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.769 177.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' HA ' HD23 ' A' ' 12' ' ' LEU . 10.1 pt-20 -66.11 -30.99 71.6 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 120.693 0.283 . . . . 0.0 110.914 -178.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.17 -35.1 71.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.876 0.369 . . . . 0.0 110.748 176.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.432 ' HE2' ' HA ' ' A' ' 8' ' ' LEU . 65.0 mtm -69.46 -35.77 75.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.587 177.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 9' ' ' GLU . 4.2 mm? -59.56 -37.75 79.29 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.26 -26.22 66.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.081 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -81.81 -6.01 58.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.811 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.84 -8.01 61.2 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.703 -0.76 . . . . 0.0 113.936 172.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.2 t -80.94 68.85 7.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.413 1.101 . . . . 0.0 110.135 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -81.07 108.43 14.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.204 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.511 HD21 HD23 ' A' ' 21' ' ' LEU . 10.4 p30 -125.63 174.26 8.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.193 0.52 . . . . 0.0 110.533 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.601 ' CE ' ' HB2' ' A' ' 49' ' ' ASP . 17.7 ttt -91.43 -25.36 19.37 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.026 -173.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.5 mt -82.66 -19.06 38.91 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -166.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.511 HD23 HD21 ' A' ' 18' ' ' ASN . 2.9 pp -79.85 -7.11 58.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.811 -0.555 . . . . 0.0 112.016 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 22' ' ' ARG . 57.8 mtt-85 -74.82 -38.13 62.14 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -172.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -69.72 -30.83 68.54 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.993 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.2 m -63.44 -35.97 82.18 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.67 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.19 -44.12 92.21 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.341 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.568 ' HA3' HD21 ' A' ' 42' ' ' LEU . . . -60.48 -36.46 91.32 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.487 -179.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -59.69 -38.77 82.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.75 0.309 . . . . 0.0 110.893 178.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.8 m -69.3 -36.22 76.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.886 0.374 . . . . 0.0 110.735 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -68.34 -41.09 81.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.278 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.39 -45.43 72.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.194 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -62.58 -32.47 73.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.044 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.7 12.71 24.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.2 -178.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 61.56 39.02 15.17 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.221 0.609 . . . . 0.0 112.328 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -111.84 46.29 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -53.14 -43.9 67.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.335 -174.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -55.5 -44.21 76.37 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.192 0.52 . . . . 0.0 111.32 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.54 -27.99 61.64 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.928 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.97 -37.95 79.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.521 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.3 mt -51.84 -54.37 41.0 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -174.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.23 -32.33 27.08 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 121.68 1.587 . . . . 0.0 112.349 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -71.64 -38.4 70.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.412 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.568 HD21 ' HA3' ' A' ' 26' ' ' GLY . 71.8 mt -71.12 -35.19 71.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.293 175.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -64.15 -31.54 72.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.98 177.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.05 85.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.673 174.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.79 -39.08 76.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.019 0.438 . . . . 0.0 110.155 175.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.85 -23.89 67.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.728 176.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -67.86 -29.97 69.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.128 0.489 . . . . 0.0 109.946 177.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -81.35 -43.54 18.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.756 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.601 ' HB2' ' CE ' ' A' ' 19' ' ' MET . 13.2 t70 -122.85 139.59 31.62 Favored Pre-proline 0 C--N 1.329 -0.299 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.326 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.512 ' HD3' ' HA ' ' A' ' 49' ' ' ASP . 4.8 Cg_exo -79.18 -22.03 8.75 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.764 2.309 . . . . 0.0 113.412 -176.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.707 ' OG1' ' HA ' ' A' ' 82' ' ' ALA . 4.1 t -158.17 83.41 0.85 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.908 0.861 . . . . 0.0 111.537 -172.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.464 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 45.6 t80 -109.82 121.45 45.26 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.608 178.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.49 ' HB3' ' HA ' ' A' ' 83' ' ' ALA . 3.4 p -52.69 -51.99 57.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.69 -173.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.464 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 50.9 t -64.3 -40.27 88.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.459 -176.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.71 -48.21 75.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.357 -175.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -67.34 -34.76 78.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.206 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.679 ' HA ' HD21 ' A' ' 95' ' ' LEU . 79.6 tttt -61.79 -43.41 98.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.688 176.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 62.9 m95 -73.68 -33.03 64.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.073 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.54 -42.76 79.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.953 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.29 -44.66 96.35 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 121.16 -0.543 . . . . 0.0 112.204 176.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt -63.68 -36.36 83.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.055 0.455 . . . . 0.0 110.914 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.8 m -68.52 -44.57 74.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.109 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.548 HD12 ' HB2' ' A' ' 75' ' ' ALA . 38.2 mt -69.14 -30.88 69.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.684 0.278 . . . . 0.0 111.012 177.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -61.13 -46.4 90.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.027 174.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.66 -27.08 73.01 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.49 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -62.71 -33.85 75.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.018 0.437 . . . . 0.0 110.002 176.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.5 16.96 14.43 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.899 176.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -114.33 100.66 8.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.029 0.442 . . . . 0.0 110.305 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.98 -28.8 69.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.479 -176.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.34 -49.53 63.68 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.573 0.225 . . . . 0.0 110.523 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.6 -36.66 92.97 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.772 175.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.92 -45.3 93.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.43 0.157 . . . . 0.0 110.672 177.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -59.56 -48.09 82.99 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -55.71 -50.77 69.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.293 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.548 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -62.14 -45.94 91.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.018 -175.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.43 ' HE3' HD22 ' A' ' 102' ' ' LEU . 9.3 m0 -71.02 -39.84 72.12 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -176.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -64.99 -41.77 95.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.142 0.496 . . . . 0.0 110.551 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -73.64 -36.78 65.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.412 -178.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.52 -21.05 70.41 Favored Glycine 0 C--N 1.332 0.308 0 CA-C-N 115.839 -0.619 . . . . 0.0 113.753 -175.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.3 tp -58.08 -43.7 87.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.325 0.583 . . . . 0.0 110.005 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.56 -30.71 68.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.615 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.707 ' HA ' ' OG1' ' A' ' 51' ' ' THR . . . -67.19 -39.88 86.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.275 0.559 . . . . 0.0 110.367 178.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.49 ' HA ' ' HB3' ' A' ' 53' ' ' SER . . . -71.81 -37.01 70.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.474 177.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -66.78 -42.61 85.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.188 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.5 t -64.7 -36.9 85.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.523 ' HA ' ' HE ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -79.28 -9.5 59.59 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.183 177.401 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.51 33.78 87.46 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.852 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.471 ' O ' HG23 ' A' ' 92' ' ' VAL . 4.8 t70 -105.55 85.53 2.26 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.341 0.591 . . . . 0.0 110.254 -176.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -54.54 -33.06 59.42 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.556 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.614 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 7.2 tt0 -56.83 -48.44 78.01 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.143 -0.223 . . . . 0.0 110.484 176.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.416 HG23 ' OD1' ' A' ' 88' ' ' ASP . 52.7 t -68.65 -36.9 76.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.419 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 88' ' ' ASP . 62.1 t -57.46 -50.63 76.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.354 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.494 ' O ' HG23 ' A' ' 97' ' ' VAL . 68.7 mttm -66.29 -37.51 85.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.788 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 52.9 mt-10 -60.95 -49.13 78.7 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.985 0.421 . . . . 0.0 110.539 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.679 HD21 ' HA ' ' A' ' 57' ' ' LYS . 75.2 mt -67.34 -32.69 73.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.685 178.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -59.15 -43.32 92.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.354 176.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 93' ' ' LYS . 97.9 t -62.59 -41.14 90.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -62.94 -37.02 85.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.965 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.3 -37.26 82.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.974 0.416 . . . . 0.0 110.993 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -73.72 -43.4 59.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.446 0.641 . . . . 0.0 109.818 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -56.59 -45.58 81.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.055 175.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.43 HD22 ' HE3' ' A' ' 76' ' ' TRP . 54.3 tp -67.57 -35.13 78.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.361 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.27 -32.52 62.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.58 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -56.59 -45.74 81.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.216 0.532 . . . . 0.0 110.403 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -72.51 -39.24 67.77 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.277 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 26.4 t70 -71.53 -47.69 53.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.49 -177.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.567 ' O ' ' HB2' ' A' ' 113' ' ' HIS . . . -63.1 -40.7 98.41 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.655 -178.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 82.6 mt -82.17 -53.42 6.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 106' ' ' ASP . 54.5 mt-10 57.33 30.26 18.21 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.438 0.637 . . . . 0.0 109.617 -171.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 63.7 t60 65.79 14.74 9.72 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.884 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -145.19 -96.58 0.1 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 176.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -152.76 22.25 0.6 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.567 ' HB2' ' O ' ' A' ' 107' ' ' ALA . 47.4 t-80 62.6 105.79 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.791 -173.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -83.23 126.7 32.93 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.166 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 . . . . . 0 C--O 1.251 1.16 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.912 -175.688 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 120.753 0.311 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -72.41 148.08 45.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.352 0.596 . . . . 0.0 110.393 -178.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.483 ' HB1' ' HG2' ' A' ' 6' ' ' GLU . . . -84.0 80.93 9.0 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.943 -177.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.454 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 63.7 mt -64.55 -34.57 70.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.261 -178.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.4 p -56.98 -41.59 78.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.726 -177.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.483 ' HG2' ' HB1' ' A' ' 3' ' ' ALA . 4.8 mm-40 -66.9 -41.89 86.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.424 -173.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -74.05 -32.53 63.35 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.219 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 86.3 mt -64.7 -52.8 55.25 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.182 -0.207 . . . . 0.0 111.452 -178.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.25 -32.36 73.98 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 111.079 -177.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.28 99.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.187 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.415 ' HB2' ' HE3' ' A' ' 11' ' ' MET . 73.4 mtm -63.77 -45.23 90.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.464 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.882 ' HG ' ' HA ' ' A' ' 17' ' ' ASP . 9.6 mp -59.54 -38.72 81.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.973 0.416 . . . . 0.0 110.595 178.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.6 -18.84 62.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.535 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -94.16 2.4 55.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.986 0.422 . . . . 0.0 111.298 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.33 4.36 50.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.413 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -99.77 55.47 0.95 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.764 0.792 . . . . 0.0 109.183 176.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.882 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 16.8 t70 -71.76 -70.37 0.33 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.56 -174.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.447 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 48.3 m-80 67.36 173.28 0.26 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.267 0.556 . . . . 0.0 111.788 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -93.73 -49.98 5.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.069 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 20' ' ' LEU . 2.9 tm? -62.84 -33.96 76.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.591 -176.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.6 tp -71.86 -32.14 67.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.512 -177.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.615 HH11 ' HB1' ' A' ' 44' ' ' ALA . 95.3 mtt180 -61.82 -43.94 97.84 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.145 0.498 . . . . 0.0 110.126 174.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -64.97 -36.78 85.51 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.807 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.2 m -58.43 -35.61 72.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.797 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.9 mt -69.94 -45.54 67.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.814 175.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.94 -47.29 91.97 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 121.077 -0.582 . . . . 0.0 113.049 -175.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -64.62 -36.77 85.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.749 0.309 . . . . 0.0 111.011 -178.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.1 m -69.48 -40.67 76.92 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.87 0.367 . . . . 0.0 111.132 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -62.5 -40.12 95.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.677 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.72 -35.45 79.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.157 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.57 -23.55 66.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -101.98 13.42 34.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.404 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 39.9 tt0 67.58 15.11 9.73 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.726 0.774 . . . . 0.0 110.692 179.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -89.72 45.64 1.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.918 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.561 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 88.4 m-85 -55.61 -31.28 62.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.335 -176.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -60.68 -46.97 88.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.657 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.6 -27.95 60.69 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.105 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.61 74.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.415 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 35' ' ' PHE . 48.0 mt -49.81 -54.34 33.03 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -174.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 20.6 Cg_endo -63.08 -40.21 35.04 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 121.837 1.691 . . . . 0.0 112.392 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -71.44 -38.49 71.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.069 -177.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.6 tp -71.11 -42.31 69.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.095 0.474 . . . . 0.0 110.27 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -62.77 -43.97 97.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.487 -178.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.615 ' HB1' HH11 ' A' ' 22' ' ' ARG . . . -64.3 -33.0 74.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.693 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.32 -47.67 63.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.059 0.457 . . . . 0.0 110.793 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 55' ' ' ALA . 66.4 mt -69.53 -25.21 63.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.673 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.89 -42.08 79.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.267 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -82.33 -43.62 17.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.629 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -135.08 88.81 25.52 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 120.889 0.375 . . . . 0.0 111.04 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.21 -4.1 14.58 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.714 2.276 . . . . 0.0 112.416 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.8 p -96.0 23.25 6.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.025 -176.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.474 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 18.2 t80 -86.36 98.27 10.89 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 177.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.642 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 12.9 m -48.98 -43.73 40.29 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -173.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.474 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 41.3 t -61.72 -36.29 72.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.912 0.387 . . . . 0.0 110.833 -177.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.494 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -70.17 -28.95 65.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.549 -176.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.642 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 31.2 m0 -58.55 -47.97 82.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.06 0.457 . . . . 0.0 110.324 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.631 ' HD2' ' HE2' ' A' ' 98' ' ' PHE . 6.8 ttpm? -67.21 -34.82 78.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.215 178.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -66.14 -33.06 74.93 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.307 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 71.3 mt -55.27 -51.71 65.76 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.076 0.235 . . . . 0.0 111.253 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.432 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -61.56 -40.4 98.66 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.443 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -69.51 -40.95 76.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.618 0.247 . . . . 0.0 111.181 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.561 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 23.6 m -67.73 -42.24 82.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.787 -179.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 59' ' ' LEU . 82.4 mt -67.38 -34.94 78.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.446 177.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -64.96 -42.47 94.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.401 176.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.89 -35.11 85.77 Favored Glycine 0 C--O 1.228 -0.266 0 C-N-CA 121.066 -0.587 . . . . 0.0 111.998 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -49.48 66.16 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 173.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.32 9.56 2.07 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.309 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.409 ' HB2' ' HB3' ' A' ' 63' ' ' LEU . 11.5 m-20 -82.98 86.63 6.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.565 0.222 . . . . 0.0 110.833 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.635 ' HD3' ' N ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -65.39 -37.22 86.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.673 176.744 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.635 ' N ' ' HD3' ' A' ' 69' ' ' ARG . . . -69.16 -47.64 64.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.517 177.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.99 -43.34 99.31 Favored Glycine 0 C--N 1.33 0.229 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.866 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.59 -47.35 82.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.792 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.654 ' HG3' HD11 ' A' ' 99' ' ' LEU . 78.6 ttt180 -62.7 -45.57 92.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.678 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -57.32 -46.15 83.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.913 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.21 98.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.551 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.432 ' NE1' ' HA3' ' A' ' 60' ' ' GLY . 27.0 m0 -71.89 -43.51 65.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.334 -176.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -67.32 -42.96 82.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.72 0.295 . . . . 0.0 111.256 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.4 t -73.47 -39.03 65.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -177.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.99 -14.46 76.07 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.706 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.1 tp -60.92 -49.12 78.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.165 0.507 . . . . 0.0 110.481 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.94 -32.64 73.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.211 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.92 -45.89 83.96 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.619 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -65.28 -40.13 93.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.752 178.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.791 HE21 HG21 ' A' ' 92' ' ' VAL . 18.4 mm-40 -58.95 -47.29 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 174.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.7 t -58.25 -41.55 84.49 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.806 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.436 ' HD2' ' HH2' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -77.58 -14.69 59.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.46 22.81 66.56 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.949 -176.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.523 ' O ' HG23 ' A' ' 92' ' ' VAL . 3.6 m-20 -82.98 81.58 8.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.343 0.592 . . . . 0.0 110.372 -178.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -56.92 -43.79 81.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.995 -1.002 . . . . 0.0 112.318 -177.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -62.17 -45.11 94.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.739 0.304 . . . . 0.0 110.269 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.3 t -65.89 -39.96 86.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.872 -175.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.791 HG21 HE21 ' A' ' 84' ' ' GLN . 98.1 t -58.67 -51.78 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.094 0.473 . . . . 0.0 110.27 177.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.548 ' O ' HG23 ' A' ' 97' ' ' VAL . 56.9 mtmt -67.57 -36.56 81.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.57 -176.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -58.8 -49.24 78.43 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 121.129 0.49 . . . . 0.0 110.434 175.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.477 HD21 ' HA ' ' A' ' 57' ' ' LYS . 83.8 mt -61.64 -44.68 96.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.245 -178.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.556 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 98.4 mt-30 -56.96 -41.56 78.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 93' ' ' LYS . 79.8 t -61.13 -51.23 75.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.522 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.631 ' HE2' ' HD2' ' A' ' 57' ' ' LYS . 61.4 m-85 -65.62 -36.4 83.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.743 0.306 . . . . 0.0 111.283 -175.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.654 HD11 ' HG3' ' A' ' 73' ' ' ARG . 42.2 tp -59.15 -40.48 85.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.31 -178.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 7.4 mtp180 -75.93 -43.8 43.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.247 0.546 . . . . 0.0 110.365 -177.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -56.62 -37.89 71.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.01 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 63.5 tp -66.88 -42.7 85.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.996 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.99 -32.58 69.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.626 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -60.21 -47.29 86.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.971 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -73.37 -35.27 65.92 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.701 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.56 -47.47 54.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.896 0.379 . . . . 0.0 111.372 -177.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.42 -42.03 90.89 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.18 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 92.7 mt -80.81 -18.25 48.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.757 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 63.45 32.69 14.21 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.446 0.698 . . . . 0.0 110.106 -177.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 65.0 t60 56.12 25.71 9.34 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.296 -177.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -81.7 46.17 0.95 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.546 0.688 . . . . 0.0 111.13 -175.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -89.34 -12.23 41.06 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.706 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -92.31 119.74 32.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.94 -175.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.42 ' O ' ' HB3' ' A' ' 115' ' ' HIS . 9.9 t60 -111.88 -29.57 7.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.837 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.42 ' HB3' ' O ' ' A' ' 114' ' ' HIS . 67.8 t60 . . . . . 0 C--O 1.249 1.066 0 O-C-N 123.863 0.727 . . . . 0.0 109.382 -171.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.4 mtt . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -93.87 147.65 22.88 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 120.596 0.236 . . . . 0.0 110.764 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 64.75 160.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 122.076 0.941 . . . . 0.0 111.965 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.441 HG21 ' CG2' ' A' ' 24' ' ' THR . 41.2 mm -71.71 -34.68 52.83 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.956 -173.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.407 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 28.3 m -62.22 -53.19 58.82 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -171.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.03 -41.48 96.65 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -175.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 7' ' ' ARG . 11.3 ptm85 -73.08 -32.03 64.75 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.536 -176.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 8' ' ' LEU . 28.4 mt -67.92 -38.22 82.64 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.702 174.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 5' ' ' THR . 39.9 mt-10 -60.2 -30.3 69.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.467 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.94 -30.78 68.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.063 0.459 . . . . 0.0 110.767 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 63.4 mtt -75.39 -31.6 60.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.264 0.554 . . . . 0.0 109.904 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 12' ' ' LEU . 4.3 mm? -67.05 -28.36 68.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.454 177.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.58 -19.44 65.92 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.664 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -95.96 -6.73 38.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.473 175.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.51 42.91 79.76 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.407 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.8 m -149.79 99.12 2.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.075 0.464 . . . . 0.0 111.329 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -127.56 175.36 8.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.834 174.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.64 177.18 7.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.865 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -62.01 -42.6 99.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.556 -176.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tt -55.29 -43.44 74.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.14 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.14 -43.92 93.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.686 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.435 ' HA ' ' HD3' ' A' ' 22' ' ' ARG . 20.4 mmt180 -58.91 -44.51 91.28 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.78 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -65.94 -44.52 84.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.522 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.441 ' CG2' HG21 ' A' ' 4' ' ' ILE . 29.3 m -62.92 -37.66 87.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.086 -178.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.3 mt -60.86 -49.66 76.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.55 177.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.7 -38.91 96.23 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.689 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -56.74 -42.03 78.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.044 0.45 . . . . 0.0 110.306 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.4 m -66.75 -41.73 87.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.124 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -65.08 -41.28 95.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.653 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.31 83.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.033 0.444 . . . . 0.0 110.592 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.06 -22.34 61.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.392 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -87.08 3.56 45.68 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 67.06 21.07 10.28 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.764 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -104.54 73.64 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 175.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -65.65 -34.84 79.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.866 -174.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -56.72 -45.27 81.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.346 0.594 . . . . 0.0 111.183 -176.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.11 -26.87 61.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.023 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.74 -37.69 85.15 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.362 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mp -49.62 -55.22 24.19 Favored Pre-proline 0 N--CA 1.474 0.769 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -172.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -63.63 -36.4 53.09 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.631 1.554 . . . . 0.0 112.34 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -71.7 -41.57 68.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.041 -176.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.456 ' HB3' HD21 ' A' ' 59' ' ' LEU . 95.9 mt -69.4 -38.02 77.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.745 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -62.68 -40.33 96.78 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.67 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.68 88.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.211 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.17 -47.61 64.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.061 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.434 HD21 ' HB3' ' A' ' 55' ' ' ALA . 66.7 mt -64.36 -25.36 68.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.374 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -60.06 -36.44 77.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.502 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -76.32 -44.48 36.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.333 178.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -145.4 88.62 6.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.979 0.419 . . . . 0.0 111.335 -172.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -69.35 -7.96 22.32 Favored 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 123.169 2.579 . . . . 0.0 113.621 -175.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.425 ' HA ' ' HZ2' ' A' ' 56' ' ' TRP . 10.9 t -91.32 19.21 6.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.118 0.485 . . . . 0.0 111.321 -177.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -76.96 87.95 3.5 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.587 ' HB3' HG21 ' A' ' 91' ' ' VAL . 16.9 m -50.07 -40.22 44.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.682 -175.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.422 ' O ' ' HD1' ' A' ' 58' ' ' TRP . 43.3 t -59.41 -37.9 72.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.99 0.424 . . . . 0.0 111.068 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -72.13 -31.05 65.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.752 -174.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.521 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 37.6 m0 -56.74 -48.24 78.23 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.254 0.55 . . . . 0.0 110.495 -177.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.664 ' HA ' HD21 ' A' ' 95' ' ' LEU . 16.8 ttpt -66.17 -38.74 88.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.609 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.422 ' HD1' ' O ' ' A' ' 54' ' ' VAL . 73.8 m95 -75.28 -41.81 56.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.456 HD21 ' HB3' ' A' ' 42' ' ' LEU . 3.4 mm? -56.97 -47.51 80.56 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.963 0.411 . . . . 0.0 111.079 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.04 -40.59 97.24 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.396 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 64' ' ' GLN . 18.4 ttpp -71.08 -26.22 62.96 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 121.185 0.517 . . . . 0.0 110.471 -179.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.2 m -70.47 -32.93 70.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.126 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.643 ' HA ' HE21 ' A' ' 66' ' ' GLN . 85.2 mt -69.27 -38.07 78.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.11 0.481 . . . . 0.0 109.803 174.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.4 ' HB3' ' O ' ' A' ' 61' ' ' LYS . 29.1 tt0 -56.93 -43.2 81.22 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.663 176.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.2 -11.35 55.37 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.689 -0.687 . . . . 0.0 113.38 -177.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.643 HE21 ' HA ' ' A' ' 63' ' ' LEU . 49.9 mt-30 -91.61 -7.51 49.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.838 0.351 . . . . 0.0 110.942 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.36 -17.3 51.43 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.311 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -87.77 80.17 7.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.464 0.65 . . . . 0.0 110.477 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.527 ' HB2' HD11 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -67.21 -29.41 69.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.681 179.756 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.407 ' N ' ' HD2' ' A' ' 69' ' ' ARG . . . -67.25 -46.68 72.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 110.817 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.05 -31.2 77.19 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.415 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.01 -51.03 66.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.591 -0.305 . . . . 0.0 111.255 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.56 ' HD3' HD12 ' A' ' 102' ' ' LEU . 48.1 ptt85 -67.16 -33.63 75.82 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.029 -178.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -61.64 -39.8 92.62 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.012 0.435 . . . . 0.0 110.324 175.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.77 91.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.5 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.516 ' CD1' HD22 ' A' ' 95' ' ' LEU . 19.4 m0 -67.28 -36.23 81.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.579 178.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -59.43 -43.59 93.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.014 174.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.4 m -73.28 -39.16 65.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.18 -27.72 73.55 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.1 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.54 -52.17 66.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.227 0.537 . . . . 0.0 110.114 177.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.29 -32.16 72.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.026 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.52 -48.25 78.31 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 176.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.405 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -62.47 -43.53 98.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.725 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.834 HE21 HG21 ' A' ' 92' ' ' VAL . 24.1 mm-40 -58.6 -48.32 81.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.083 176.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.2 t -64.47 -39.34 93.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.413 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -84.23 -13.58 52.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.969 0.414 . . . . 0.0 111.039 -175.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.85 36.2 8.63 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.096 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -114.23 91.55 3.67 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.194 0.521 . . . . 0.0 109.668 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -65.28 -37.52 87.42 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.17 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.502 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 48.5 tt0 -56.39 -47.51 78.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.111 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.587 HG21 ' HB3' ' A' ' 53' ' ' SER . 60.2 t -60.68 -39.35 81.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.956 0.408 . . . . 0.0 110.103 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.834 HG21 HE21 ' A' ' 84' ' ' GLN . 89.3 t -58.73 -49.99 80.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.373 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -66.69 -36.51 82.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.466 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 40.9 mt-10 -61.91 -49.37 76.47 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.007 0.432 . . . . 0.0 110.192 176.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.664 HD21 ' HA ' ' A' ' 57' ' ' LYS . 75.9 mt -66.36 -32.79 74.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.079 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.619 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 76.2 mm-40 -56.36 -36.92 69.36 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.693 -0.23 . . . . 0.0 110.745 176.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.24 -45.31 98.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.935 0.398 . . . . 0.0 110.296 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -64.69 -35.84 82.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.62 178.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.8 -37.9 83.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.516 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 7.1 mmp_? -69.88 -49.43 52.31 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.496 0.665 . . . . 0.0 109.718 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -56.84 -46.5 81.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.072 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.56 HD12 ' HD3' ' A' ' 73' ' ' ARG . 0.3 OUTLIER -67.6 -38.84 84.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.682 -178.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.0 83.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.739 -177.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -65.19 -31.93 73.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.663 0.268 . . . . 0.0 110.914 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -70.0 -47.0 63.91 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.103 0.478 . . . . 0.0 110.62 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -71.49 -34.53 70.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.482 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.9 -26.89 49.52 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.358 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.49 -22.04 63.09 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -91.56 -0.6 57.61 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.953 0.406 . . . . 0.0 110.886 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 15.9 t60 49.17 52.75 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.888 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -56.89 -29.62 63.17 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.671 -175.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -84.76 48.37 1.53 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.702 0.763 . . . . 0.0 110.148 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 25.5 p80 -87.92 -8.58 55.55 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.757 175.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -104.99 98.2 7.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.683 -178.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.784 -179.359 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 121.058 0.456 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.412 ' H ' ' CD ' ' A' ' 2' ' ' GLN . 0.6 OUTLIER -94.4 161.24 14.31 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.967 175.399 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -109.8 88.64 2.8 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.404 0.621 . . . . 0.0 110.52 177.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.479 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 60.5 mt -63.92 -22.99 32.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.78 176.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.45 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 16.2 p -59.73 -39.1 83.6 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.234 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.36 -42.17 95.21 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -176.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 4' ' ' ILE . 19.1 ptp180 -73.56 -32.7 64.31 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.589 178.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 96.7 mt -65.67 -48.06 73.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.477 177.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 5' ' ' THR . 9.5 mm-40 -53.07 -37.1 61.35 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.706 178.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.41 -49.75 72.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.084 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 72.3 mtm -62.15 -31.83 72.37 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.779 0.323 . . . . 0.0 111.446 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.657 ' HG ' ' HB2' ' A' ' 17' ' ' ASP . 10.0 mp -63.16 -33.63 75.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.709 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.01 -22.41 64.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.668 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -77.46 -2.22 34.25 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.815 0.34 . . . . 0.0 110.76 176.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.7 10.49 52.88 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.348 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -95.41 39.64 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.708 0.766 . . . . 0.0 110.426 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.657 ' HB2' ' HG ' ' A' ' 12' ' ' LEU . 10.7 t0 -109.35 114.34 27.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.274 178.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -114.95 -68.2 0.94 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.146 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -170.78 -44.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.723 HD22 ' HE2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -59.65 -45.88 90.68 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.243 -174.489 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 21' ' ' LEU . 6.1 mp -73.68 -22.42 59.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.066 0.46 . . . . 0.0 110.592 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.447 ' HD3' ' OD1' ' A' ' 17' ' ' ASP . 20.5 ttp180 -77.57 -45.57 24.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.771 -170.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.723 ' HE2' HD22 ' A' ' 20' ' ' LEU . 25.5 p90 -70.2 -31.66 69.21 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.075 177.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.5 m -58.08 -35.51 71.5 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.755 177.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 8' ' ' LEU . 93.7 mt -61.88 -49.48 76.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.318 175.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.605 ' HA3' ' HG ' ' A' ' 42' ' ' LEU . . . -59.5 -42.12 97.48 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.321 -178.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -56.59 -48.91 76.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.074 0.464 . . . . 0.0 110.567 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 14.9 m -69.36 -40.34 77.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.593 -175.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -62.97 -41.5 99.56 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 121.178 -0.209 . . . . 0.0 110.843 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.28 -45.35 84.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.167 0.508 . . . . 0.0 110.579 -178.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -67.92 -22.47 65.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.979 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.485 ' HB2' ' O ' ' A' ' 28' ' ' THR . 0.7 OUTLIER -92.5 10.94 28.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.901 -177.489 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 67.32 26.06 8.6 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.769 0.795 . . . . 0.0 110.68 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -110.0 46.1 1.05 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 175.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -50.33 -43.25 53.89 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.649 -172.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.7 -38.26 90.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.138 0.494 . . . . 0.0 110.837 -176.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.29 -27.71 61.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.968 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.65 -37.99 80.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.406 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.72 HD11 ' HG3' ' A' ' 66' ' ' GLN . 98.3 mt -51.96 -53.65 49.21 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 -172.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 14.7 Cg_endo -58.44 -42.16 58.02 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 122.097 1.865 . . . . 0.0 112.738 -179.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -68.48 -42.33 78.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.578 0.228 . . . . 0.0 111.013 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.605 ' HG ' ' HA3' ' A' ' 26' ' ' GLY . 81.2 mt -66.61 -42.25 87.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.55 178.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 43' ' ' ARG . 19.9 ttt180 -65.23 -41.99 93.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.415 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.63 -32.8 74.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.901 0.381 . . . . 0.0 110.946 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.38 -47.42 82.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.851 0.357 . . . . 0.0 110.46 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.441 HD21 ' HB3' ' A' ' 55' ' ' ALA . 82.7 mt -71.27 -25.51 62.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.772 178.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.33 -38.62 84.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.15 0.5 . . . . 0.0 110.446 176.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.445 ' HB2' ' NH2' ' A' ' 22' ' ' ARG . 75.7 t80 -80.79 -44.0 19.24 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.885 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -145.7 89.67 6.13 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 120.885 0.374 . . . . 0.0 110.299 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -66.66 -5.2 12.49 Favored 'Trans proline' 0 N--CA 1.472 0.255 0 C-N-CA 123.252 2.634 . . . . 0.0 113.547 -173.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.5 m -98.95 55.36 1.02 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.329 0.585 . . . . 0.0 110.693 -177.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.422 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 11.0 t80 -121.93 90.58 3.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.541 173.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.596 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 3.0 m -50.55 -34.36 25.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.849 -1.069 . . . . 0.0 113.403 -173.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.422 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 42.3 t -62.6 -38.71 82.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.881 0.372 . . . . 0.0 110.935 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.441 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -72.78 -28.26 62.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.753 -175.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.596 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 39.9 m0 -59.97 -49.85 76.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.959 0.409 . . . . 0.0 110.559 -177.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.477 ' HB3' HD21 ' A' ' 95' ' ' LEU . 9.9 pttp -67.78 -33.03 74.03 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 178.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.689 ' CE3' ' HD3' ' A' ' 61' ' ' LYS . 41.1 m95 -58.38 -45.83 87.54 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 110.681 -0.118 . . . . 0.0 110.681 176.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.1 mt -55.61 -49.75 71.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.416 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.03 -47.61 89.93 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 121.158 -0.544 . . . . 0.0 113.166 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.689 ' HD3' ' CE3' ' A' ' 58' ' ' TRP . 14.7 ptmm? -69.95 -24.79 63.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.89 0.376 . . . . 0.0 110.606 -177.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.2 m -74.91 -37.83 61.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.125 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.72 -31.28 72.19 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -178.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -62.13 -47.68 83.5 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.16 -16.04 79.28 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.128 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.72 ' HG3' HD11 ' A' ' 39' ' ' LEU . 26.0 tm0? -71.91 -26.86 62.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.76 -20.88 5.1 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.418 176.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -97.25 83.68 3.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.283 0.563 . . . . 0.0 110.418 -175.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.462 ' H ' ' HG2' ' A' ' 69' ' ' ARG . 2.9 ptm180 -65.33 -41.28 94.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.467 -178.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.39 -36.69 79.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.849 0.357 . . . . 0.0 110.568 176.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.86 -36.08 91.68 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.106 177.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.11 -49.19 77.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 110.418 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.471 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 54.0 ttp85 -57.9 -48.27 80.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.446 177.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -60.64 -38.99 86.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.251 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.83 95.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.57 ' CD1' HD22 ' A' ' 95' ' ' LEU . 13.3 m0 -66.62 -35.95 81.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.514 178.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 73' ' ' ARG . 46.3 mt-10 -61.01 -42.17 97.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.15 0.5 . . . . 0.0 110.119 176.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.6 t -68.35 -46.28 70.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.564 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.39 -28.26 73.63 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.387 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.443 HD11 HG13 ' A' ' 92' ' ' VAL . 12.9 tp -62.1 -53.47 54.99 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 120.668 0.271 . . . . 0.0 110.277 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.07 -33.16 71.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.913 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.24 -43.49 91.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.158 0.504 . . . . 0.0 109.9 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.561 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -69.27 -38.56 78.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.657 178.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.524 HE21 ' HA ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -61.9 -45.73 92.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.512 177.089 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 t -61.52 -39.84 92.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.041 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.48 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 0.1 OUTLIER -76.64 -15.18 59.88 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.37 179.618 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.35 21.56 75.13 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.268 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.433 ' OD2' ' HB3' ' A' ' 86' ' ' ARG . 29.3 m-20 -85.61 80.03 9.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.284 0.564 . . . . 0.0 110.131 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -56.52 -39.59 73.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.388 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.447 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 43.7 tt0 -56.13 -47.02 78.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.077 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.57 HG21 ' HB3' ' A' ' 53' ' ' SER . 58.3 t -69.05 -37.66 77.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.074 -176.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.443 HG13 HD11 ' A' ' 80' ' ' LEU . 96.9 t -58.17 -48.71 83.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.276 176.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.446 ' O ' HG23 ' A' ' 97' ' ' VAL . 74.9 mmtt -61.8 -42.23 98.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.36 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 45.8 mt-10 -58.84 -48.32 81.76 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.876 0.369 . . . . 0.0 110.69 177.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.57 HD22 ' CD1' ' A' ' 76' ' ' TRP . 81.3 mt -66.74 -37.18 84.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.396 -178.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.681 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 13.9 mm100 -57.16 -39.92 76.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.2 178.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 93' ' ' LYS . 74.1 t -60.77 -46.68 95.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 120.666 0.269 . . . . 0.0 110.655 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -66.06 -41.95 90.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.004 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' A' ' 76' ' ' TRP . 67.4 mt -59.22 -34.68 72.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.713 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.681 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 57.5 mtm180 -69.09 -47.56 64.91 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 121.763 0.792 . . . . 0.0 110.068 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 101' ' ' ARG . 21.7 ttt180 -67.02 -37.27 83.83 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.306 -1.315 . . . . 0.0 111.145 -178.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.81 -40.65 95.56 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.42 -31.89 68.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.974 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 57.9 mtp180 -67.09 -28.93 68.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -75.2 -40.8 58.98 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.048 0.452 . . . . 0.0 110.124 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -59.99 -43.54 95.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.099 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.511 ' HA ' ' CB ' ' A' ' 111' ' ' HIS . . . -57.9 -32.78 68.06 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.249 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.47 -35.17 78.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.916 0.389 . . . . 0.0 111.469 -178.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -105.59 -66.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.41 1.1 . . . . 0.0 111.118 -177.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -70.09 -23.31 63.03 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 113.365 -1.743 . . . . 0.0 112.297 -169.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.511 ' CB ' ' HA ' ' A' ' 107' ' ' ALA . 15.8 t-80 -106.06 2.85 27.57 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.112 0.482 . . . . 0.0 110.462 -178.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -87.85 -2.41 58.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.272 0.558 . . . . 0.0 109.888 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -64.69 119.61 10.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.413 175.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -74.43 142.92 44.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.099 176.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 31.0 t60 . . . . . 0 C--O 1.25 1.086 0 O-C-N 123.86 0.725 . . . . 0.0 109.94 -176.671 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.966 0.412 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -88.88 149.76 23.2 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.985 177.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.608 ' HB3' ' HG3' ' A' ' 6' ' ' GLU . . . -80.75 112.44 18.12 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 176.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.455 ' O ' HD23 ' A' ' 8' ' ' LEU . 50.3 mm -55.76 -34.62 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.99 -177.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.79 -42.65 79.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.859 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.608 ' HG3' ' HB3' ' A' ' 3' ' ' ALA . 57.5 mt-10 -57.14 -50.76 71.82 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -74.2 -32.8 63.2 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.038 -176.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.506 HD12 ' HB2' ' A' ' 21' ' ' LEU . 4.4 mm? -66.19 -45.47 80.72 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.006 175.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.62 -33.0 74.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.474 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.65 -49.61 62.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.357 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.9 ptm -71.02 -26.09 62.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.963 0.411 . . . . 0.0 110.831 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.9 tp -59.6 -38.26 80.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.652 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.09 -34.27 70.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.301 -0.863 . . . . 0.0 113.03 -173.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -88.29 14.53 9.27 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.696 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.47 50.24 2.41 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.997 175.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.511 ' O ' HD21 ' A' ' 21' ' ' LEU . 6.9 m -113.85 75.96 0.96 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 173.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -112.46 104.14 12.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.795 -171.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.573 ' OD1' ' HG ' ' A' ' 21' ' ' LEU . 31.3 p30 -148.38 174.08 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.705 178.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.538 ' HG3' ' HB3' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -77.61 -20.42 53.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.941 -177.112 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 tt -63.98 -57.05 10.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.475 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.573 ' HG ' ' OD1' ' A' ' 18' ' ' ASN . 3.0 pp -73.64 -21.85 60.16 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.449 -177.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 18' ' ' ASN . 70.0 mtt180 -70.48 -37.64 74.28 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.01 174.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -68.93 -46.51 68.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.074 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.555 HG22 ' HA ' ' A' ' 21' ' ' LEU . 13.0 t -60.45 -34.19 73.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.657 0.265 . . . . 0.0 111.026 -177.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.9 mt -71.11 -46.78 61.04 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.473 ' HA2' ' CD2' ' A' ' 29' ' ' TYR . . . -61.75 -42.1 99.7 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.61 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -58.79 -38.67 79.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.705 0.288 . . . . 0.0 110.683 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.1 m -65.48 -35.28 80.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.685 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.624 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 18.9 m-85 -67.95 -42.47 80.9 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 175.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.88 -38.8 89.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.879 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.9 -23.64 66.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.078 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -101.32 14.75 30.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.954 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.423 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 29.9 tt0 65.53 22.53 11.8 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.689 176.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.624 ' HB2' ' HB3' ' A' ' 29' ' ' TYR . 47.9 mt-30 -87.57 45.82 1.31 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.302 0.573 . . . . 0.0 109.478 176.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.52 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 79.9 m-85 -59.97 -31.9 70.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.4 -172.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -59.74 -42.97 94.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.217 0.532 . . . . 0.0 110.427 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.68 -37.02 62.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.077 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.36 -38.47 71.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.095 -176.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.483 ' HB3' ' HD3' ' A' ' 40' ' ' PRO . 3.3 tt -50.52 -54.77 31.75 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -172.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' A' ' 39' ' ' LEU . 55.9 Cg_endo -71.14 -30.86 15.52 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 121.517 1.478 . . . . 0.0 112.173 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -71.58 -40.65 69.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.102 0.477 . . . . 0.0 110.29 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.5 mt -72.27 -40.61 67.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.924 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -58.6 -43.74 89.66 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.5 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.85 81.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.252 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.36 94.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.511 HD21 ' HB3' ' A' ' 55' ' ' ALA . 48.8 mt -68.72 -26.78 65.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.122 178.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.86 -36.92 70.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.151 0.5 . . . . 0.0 110.014 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -70.85 -44.51 66.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.337 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.538 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 10.5 t70 -149.07 88.85 5.01 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.938 0.399 . . . . 0.0 110.774 -176.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.07 -5.59 9.66 Favored 'Trans proline' 0 N--CA 1.474 0.334 0 C-N-CA 123.427 2.751 . . . . 0.0 113.686 -175.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.43 6.52 19.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.836 0.351 . . . . 0.0 111.916 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -83.51 81.87 8.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.946 0.403 . . . . 0.0 109.916 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.491 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 2.3 m -54.79 -38.27 67.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.28 -176.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.3 t -62.19 -35.59 69.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.109 0.48 . . . . 0.0 110.589 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.511 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -68.71 -30.07 68.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.467 -177.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.491 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 23.8 m0 -60.51 -47.09 87.68 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.813 0.816 . . . . 0.0 109.431 177.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 1.023 ' HA ' HD21 ' A' ' 95' ' ' LEU . 86.9 tttt -65.35 -43.16 91.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.326 -176.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.475 ' HA ' ' HD3' ' A' ' 61' ' ' LYS . 65.5 m95 -75.06 -28.9 60.56 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 55' ' ' ALA . 2.1 tm? -58.96 -50.96 72.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.327 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.33 -39.22 94.43 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.311 179.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.475 ' HD3' ' HA ' ' A' ' 58' ' ' TRP . 27.5 mtpp -61.29 -36.18 79.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.143 0.497 . . . . 0.0 110.563 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.52 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 25.3 m -69.57 -40.13 76.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.834 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.435 HD23 HD13 ' A' ' 59' ' ' LEU . 3.4 mm? -62.08 -39.66 93.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.121 177.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -66.43 -37.08 84.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.08 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.04 -24.46 62.99 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.379 176.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -34.03 62.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.05 -26.16 4.79 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.64 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -88.96 96.59 10.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.453 0.644 . . . . 0.0 110.49 -176.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 69' ' ' ARG . 17.5 ptt-85 -65.33 -24.24 67.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.065 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.66 94.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.36 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.48 -33.64 63.94 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.443 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.57 -50.99 71.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.616 0.245 . . . . 0.0 110.79 177.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -65.78 -37.85 87.44 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.455 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -44.07 86.28 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.138 0.494 . . . . 0.0 109.847 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.36 89.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.256 178.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.609 ' CD1' HD22 ' A' ' 95' ' ' LEU . 14.5 m0 -65.89 -41.6 91.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.372 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.8 -37.16 85.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.777 0.323 . . . . 0.0 110.924 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.2 m -70.22 -46.73 63.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.406 177.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.09 -29.19 74.73 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.183 178.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 tp -61.22 -50.62 72.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.136 0.493 . . . . 0.0 109.727 176.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.38 -31.93 73.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.702 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.64 86.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.012 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.24 92.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.586 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -62.04 -44.12 97.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.934 175.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.6 t -61.6 -33.04 73.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.822 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.481 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 2.9 mmp_? -84.74 -15.26 45.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.786 0.326 . . . . 0.0 111.764 178.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.66 30.98 34.32 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.745 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -105.18 83.65 2.0 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.016 0.436 . . . . 0.0 111.064 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -59.2 -35.01 72.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.911 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.561 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 39.0 tt0 -56.18 -47.66 77.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 45.9 t -68.55 -37.96 78.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.14 -176.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.5 t -58.5 -45.12 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.429 177.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 97' ' ' VAL . 57.6 mtmt -66.91 -41.3 87.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.097 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 76.0 mt-10 -63.75 -49.4 73.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.866 0.365 . . . . 0.0 111.317 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 1.023 HD21 ' HA ' ' A' ' 57' ' ' LYS . 23.9 mt -67.25 -31.95 72.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.457 -178.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -60.04 -34.09 72.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.762 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.568 ' HA ' ' HG3' ' A' ' 100' ' ' ARG . 64.5 t -59.55 -39.46 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 120.791 0.329 . . . . 0.0 110.853 -177.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -64.76 -42.65 94.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.956 0.408 . . . . 0.0 109.919 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.06 -31.67 72.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.654 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.568 ' HG3' ' HA ' ' A' ' 97' ' ' VAL . 1.4 mtp180 -63.8 -47.79 79.47 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 120.999 0.428 . . . . 0.0 110.3 -179.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -72.97 -36.64 67.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.373 178.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.415 ' HA ' HD22 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -58.33 -45.01 88.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.972 179.454 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.37 -32.27 73.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.074 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.521 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 78.6 mtp180 -68.39 -47.03 68.41 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 177.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -62.91 -39.8 95.64 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.09 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -69.6 -46.25 66.71 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.919 0.39 . . . . 0.0 110.544 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.01 -40.27 73.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.735 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 104' ' ' ARG . 93.9 mt -58.89 -37.71 77.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.688 0.28 . . . . 0.0 111.441 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -101.06 3.3 41.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.998 0.428 . . . . 0.0 111.868 -176.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -120.44 -0.28 10.38 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.287 177.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -164.08 86.57 0.48 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.777 -171.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -94.14 -14.46 25.65 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 171.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -150.35 174.32 13.0 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 167.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -101.58 98.79 9.05 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 119.703 -0.799 . . . . 0.0 109.855 174.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 55.9 t60 . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.216 -0.897 . . . . 0.0 109.372 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.1 mtp . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 120.63 0.252 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.789 HE21 ' HA ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -165.88 153.06 10.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.788 0.328 . . . . 0.0 110.383 178.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.06 97.93 11.48 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.992 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.494 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 50.7 mm -56.81 -33.62 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.134 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.571 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -57.65 -36.04 71.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.076 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -66.6 -46.33 76.26 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -176.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -67.18 -31.59 72.09 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.009 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.629 ' O ' ' HG2' ' A' ' 11' ' ' MET . 96.2 mt -65.24 -41.57 94.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.465 175.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 5' ' ' THR . 50.6 mt-10 -62.15 -40.26 95.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.117 0.484 . . . . 0.0 110.544 175.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.66 -41.72 83.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.878 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.629 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 20.9 ptm -62.66 -25.77 68.31 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 111.512 0.189 . . . . 0.0 111.512 -176.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.411 HD11 HD21 ' A' ' 21' ' ' LEU . 8.6 mp -60.09 -44.48 94.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.92 0.39 . . . . 0.0 110.52 174.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.87 -6.9 54.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.049 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -92.49 3.66 55.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.53 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.17 58.82 2.39 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.851 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.0 m -153.24 103.51 2.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.771 0.32 . . . . 0.0 110.574 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -136.0 115.85 13.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.107 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.461 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 60.3 m-80 -132.81 165.26 24.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.351 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -63.96 -47.91 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 tp -60.83 -30.97 70.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.91 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.411 HD21 HD11 ' A' ' 12' ' ' LEU . 9.3 tt -66.52 -47.9 71.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.963 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.472 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 41.4 mtt180 -63.02 -36.23 82.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.041 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -66.68 -40.41 88.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.386 175.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.6 m -60.57 -37.13 80.29 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.558 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.554 ' O ' ' HD2' ' A' ' 29' ' ' TYR . 90.0 mt -61.41 -50.04 74.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.211 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.43 -43.19 97.65 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.093 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -57.45 -49.27 76.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.938 0.399 . . . . 0.0 110.735 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.0 m -64.64 -42.08 95.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.39 -176.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.554 ' HD2' ' O ' ' A' ' 25' ' ' LEU . 42.0 m-85 -64.73 -40.09 94.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.726 177.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.17 -40.8 90.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.402 . . . . 0.0 110.839 -178.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -65.24 -25.99 67.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.873 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -92.41 10.42 30.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.46 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 68.72 16.54 8.95 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.548 0.689 . . . . 0.0 110.779 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -91.16 46.28 1.3 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.212 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -50.37 -45.11 54.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.419 -0.809 . . . . 0.0 112.636 -172.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -60.15 -45.39 93.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.144 0.497 . . . . 0.0 110.761 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.9 -27.47 64.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.399 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.04 -37.87 84.85 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.987 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.4 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 97.6 mt -51.86 -54.31 41.69 Favored Pre-proline 0 CA--C 1.541 0.599 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -173.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 22.4 Cg_endo -62.86 -31.34 77.83 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 122.051 1.834 . . . . 0.0 112.34 -178.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -71.97 -39.73 69.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.921 0.391 . . . . 0.0 110.399 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.2 mt -71.0 -42.06 70.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.387 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -64.67 -32.55 74.26 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.226 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.3 94.8 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.006 0.431 . . . . 0.0 110.51 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 22' ' ' ARG . . . -68.43 -46.3 70.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.557 177.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.443 HD21 ' HB3' ' A' ' 55' ' ' ALA . 88.8 mt -66.87 -25.46 66.42 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.554 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -58.88 -45.92 89.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.114 0.483 . . . . 0.0 110.37 177.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -81.43 -44.46 17.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.189 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -139.02 88.19 13.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 121.198 0.523 . . . . 0.0 110.507 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.76 -2.96 12.23 Favored 'Trans proline' 0 CA--C 1.526 0.123 0 C-N-CA 123.106 2.538 . . . . 0.0 113.23 -177.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.61 15.74 2.01 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -170.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -92.64 96.69 10.34 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.004 -0.435 . . . . 0.0 110.496 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.837 ' HB3' HG21 ' A' ' 91' ' ' VAL . 15.5 m -55.59 -38.25 69.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.825 -174.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.3 t -58.15 -37.09 60.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 120.891 0.377 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.443 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -66.9 -28.99 68.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.04 -178.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.611 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 13.9 m0 -70.03 -44.74 68.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.392 0.615 . . . . 0.0 109.509 179.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.78 ' HA ' HD21 ' A' ' 95' ' ' LEU . 79.2 tttt -65.15 -39.1 92.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.966 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -74.74 -28.64 60.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.926 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -56.57 -50.75 71.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 110.482 -177.506 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.26 -41.07 99.66 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.033 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -61.51 -38.23 86.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.94 0.4 . . . . 0.0 111.366 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 49.9 m -64.55 -44.74 89.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.092 -178.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.1 -33.72 73.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.109 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -40.27 85.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.343 . . . . 0.0 110.243 175.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.04 -37.98 94.87 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.954 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -68.21 -23.17 64.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.143 0.496 . . . . 0.0 110.331 177.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.84 26.25 8.6 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.894 -0.67 . . . . 0.0 113.441 172.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -113.29 101.31 9.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.452 0.644 . . . . 0.0 110.245 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -62.58 -45.92 90.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.754 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' ' 73' ' ' ARG . . . -62.64 -44.02 97.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 111.652 -177.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.55 -38.07 93.08 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.847 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.4 -47.63 81.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.536 0.208 . . . . 0.0 111.253 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.663 ' HB3' HD21 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -65.07 -43.22 92.93 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.558 -177.777 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -68.94 -33.58 73.95 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.497 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.42 88.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.358 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 4.6 m0 -66.96 -41.77 86.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.447 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.95 -40.38 93.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.007 0.432 . . . . 0.0 110.406 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 m -71.36 -41.34 69.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.444 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.46 -33.15 83.88 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.177 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.76 -48.58 80.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.119 0.485 . . . . 0.0 109.742 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.85 -31.36 72.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.131 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.49 84.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.095 0.474 . . . . 0.0 110.003 175.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.583 ' HA ' ' CZ3' ' A' ' 56' ' ' TRP . . . -65.6 -40.73 92.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.831 177.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.26 -43.19 99.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.308 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.7 t -60.19 -40.19 89.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.731 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.734 ' HD2' ' HB2' ' A' ' 88' ' ' ASP . 2.0 tmt_? -76.08 -14.34 60.2 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 122.993 0.517 . . . . 0.0 111.031 177.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.6 19.58 74.87 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.944 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.734 ' HB2' ' HD2' ' A' ' 86' ' ' ARG . 32.0 t0 -86.6 78.4 9.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.619 0.723 . . . . 0.0 109.535 -175.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -61.47 -33.99 74.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.923 -1.035 . . . . 0.0 112.215 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -57.14 -45.84 83.2 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.528 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.837 HG21 ' HB3' ' A' ' 53' ' ' SER . 72.0 t -72.19 -36.66 56.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.86 178.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.556 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 71.2 t -56.46 -47.37 81.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -61.48 -35.96 79.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.149 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -68.19 -44.74 75.18 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.878 0.37 . . . . 0.0 110.707 177.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.78 HD21 ' HA ' ' A' ' 57' ' ' LYS . 48.5 mt -65.64 -36.1 82.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.439 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' A' ' 92' ' ' VAL . 18.6 mm-40 -56.44 -34.75 67.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.953 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 58.3 t -61.35 -41.15 88.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.955 0.407 . . . . 0.0 110.514 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.411 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 71.7 m-85 -67.3 -32.89 74.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.084 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 99' ' ' LEU . 4.1 mm? -64.38 -37.03 86.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.605 177.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.535 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 39.4 mtt180 -69.36 -45.16 70.03 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.875 0.845 . . . . 0.0 108.84 178.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -55.36 -47.51 75.64 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 113.816 -1.538 . . . . 0.0 110.419 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' A' ' 73' ' ' ARG . 41.5 tp -69.68 -41.3 75.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.421 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.23 73.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.31 -0.404 . . . . 0.0 112.045 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 46.3 mtp180 -62.14 -29.67 70.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.694 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -76.4 -47.83 21.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.219 0.533 . . . . 0.0 111.185 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -64.49 -47.28 79.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.851 -173.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.6 -27.64 62.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.319 -177.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 104' ' ' ARG . 57.1 mt -67.99 -25.26 65.32 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -174.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -70.52 -78.17 0.08 Allowed 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.44 0.638 . . . . 0.0 110.805 -174.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -161.35 14.35 0.1 Allowed 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.472 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -34.67 74.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.249 -175.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 63.74 5.78 2.4 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.244 0.545 . . . . 0.0 111.273 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -79.17 96.48 5.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.183 -0.323 . . . . 0.0 110.995 -175.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -84.81 -58.36 2.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 172.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 . . . . . 0 C--O 1.248 1.004 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.882 175.791 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 120.639 0.256 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.629 ' N ' HE21 ' A' ' 2' ' ' GLN . 0.0 OUTLIER -69.51 163.69 24.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.933 0.397 . . . . 0.0 110.191 176.818 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.18 95.44 10.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.202 0.525 . . . . 0.0 111.612 -174.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.591 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 51.2 mm -68.79 -31.88 52.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.608 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 p -65.44 -39.89 92.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.956 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -71.18 -36.27 71.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.586 -175.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -69.54 -31.49 69.74 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.352 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 96.4 mt -62.52 -41.92 99.18 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.849 0.357 . . . . 0.0 110.247 175.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -61.23 -40.56 94.46 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.751 175.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -64.73 -49.5 70.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.474 -179.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.0 ptm -68.09 -29.96 69.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.731 0.3 . . . . 0.0 110.978 -177.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -64.54 -43.34 94.29 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 176.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.08 -7.56 54.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.658 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 28.8 mm-40 -83.33 -3.41 57.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 111.024 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.59 34.3 4.47 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.333 176.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.4 m -128.0 87.38 2.6 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.041 0.448 . . . . 0.0 109.84 173.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.24 146.12 30.61 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.463 ' HB3' ' HB3' ' A' ' 21' ' ' LEU . 4.9 t-20 -148.2 178.09 8.85 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -176.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -102.65 -61.39 1.4 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.01 -35.8 80.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.886 -177.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.463 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . 2.4 tm? -58.14 -47.69 82.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.626 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.41 ' HD3' HH11 ' A' ' 22' ' ' ARG . 12.1 ptp180 -71.54 -30.37 65.81 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.573 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -69.7 -49.94 48.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.757 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.2 t -66.16 -33.25 75.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.681 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tt -56.7 -50.04 73.36 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 177.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.6 -38.76 61.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.089 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -58.49 -36.92 74.52 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 122.443 0.297 . . . . 0.0 111.261 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.6 m -61.01 -35.97 78.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.729 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -66.02 -43.45 87.59 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 176.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.47 98.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.768 -178.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -63.18 -34.87 78.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.267 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -90.7 19.14 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.217 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.465 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 31.0 tt0 72.3 15.86 5.21 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.433 0.635 . . . . 0.0 111.863 172.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -103.43 46.74 0.91 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.465 ' CE1' ' HA ' ' A' ' 33' ' ' GLU . 95.6 m-85 -50.84 -33.71 24.88 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 114.743 -1.117 . . . . 0.0 112.273 -175.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -53.4 -40.0 64.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.393 0.616 . . . . 0.0 111.358 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.6 -26.55 59.99 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.177 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.66 -36.95 76.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.571 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.424 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 6.7 mp -48.75 -54.33 28.41 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -172.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 21.8 Cg_endo -62.85 -36.71 59.75 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 121.821 1.681 . . . . 0.0 112.901 -178.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -71.99 -42.48 66.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.621 -177.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mp -65.0 -40.56 95.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.79 0.329 . . . . 0.0 110.821 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -68.51 -31.32 70.49 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.884 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.92 -31.13 68.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.875 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.28 -35.41 76.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.303 0.573 . . . . 0.0 110.103 174.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.431 HD11 HD11 ' A' ' 59' ' ' LEU . 97.1 mt -64.32 -24.11 67.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.978 177.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -58.99 -45.2 91.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.179 0.514 . . . . 0.0 110.624 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -81.03 -40.13 24.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.413 -178.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -143.41 87.41 8.46 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 120.773 0.321 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -70.45 -8.65 24.11 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.362 2.041 . . . . 0.0 111.575 179.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.602 ' HA ' ' HZ2' ' A' ' 56' ' ' TRP . 10.3 p -97.94 16.81 19.84 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.15 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -77.76 89.17 4.01 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.745 ' HB3' HG21 ' A' ' 91' ' ' VAL . 2.2 m -49.49 -36.29 22.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.151 -0.931 . . . . 0.0 112.609 -175.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.4 t -62.78 -37.54 79.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.962 0.41 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.586 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -68.94 -35.92 77.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.205 -177.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.602 ' HZ2' ' HA ' ' A' ' 51' ' ' THR . 29.0 m0 -57.22 -45.2 84.06 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.478 0.656 . . . . 0.0 109.917 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 1.027 ' HA ' HD21 ' A' ' 95' ' ' LEU . 61.7 tttt -65.28 -36.49 84.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.656 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -75.34 -30.77 60.35 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 78.4 mt -56.1 -49.98 72.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.856 0.36 . . . . 0.0 111.31 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.568 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -58.82 -44.1 96.15 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.662 178.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -65.98 -30.66 71.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.714 0.292 . . . . 0.0 111.352 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.449 ' HA ' ' CD2' ' A' ' 35' ' ' PHE . 45.7 m -69.32 -44.23 72.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.723 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.9 mt -68.62 -31.96 71.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.955 0.407 . . . . 0.0 110.837 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -68.62 -30.47 69.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.645 174.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.84 -25.73 64.1 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.764 -0.732 . . . . 0.0 111.756 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -70.88 -48.95 51.01 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.18 24.26 2.49 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.499 -0.857 . . . . 0.0 113.257 175.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -114.37 105.4 13.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.452 0.644 . . . . 0.0 110.736 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.563 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 25.6 ttp180 -62.5 -44.28 96.76 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.848 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.78 -45.1 83.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.668 0.271 . . . . 0.0 111.719 -176.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.45 -39.89 95.97 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.885 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.47 86.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.456 0.17 . . . . 0.0 111.446 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' ' 69' ' ' ARG . 1.8 ptm180 -65.17 -42.63 93.49 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.928 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -66.91 -38.06 85.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.696 0.284 . . . . 0.0 110.689 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.11 -43.32 98.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.742 177.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.632 ' CD1' HD22 ' A' ' 95' ' ' LEU . 8.0 m0 -63.66 -40.62 97.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.937 178.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 73' ' ' ARG . 45.9 mm-40 -61.02 -40.05 92.08 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.871 0.367 . . . . 0.0 110.53 175.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.5 m -67.2 -45.77 75.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.537 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.28 -34.32 80.06 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.12 -0.562 . . . . 0.0 111.944 178.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 76' ' ' TRP . 10.7 tp -61.06 -52.31 65.5 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 178.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.92 -31.82 72.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.128 178.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 86' ' ' ARG . . . -65.09 -46.12 82.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.842 176.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.402 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -68.88 -36.97 78.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.858 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.708 HE21 HG21 ' A' ' 92' ' ' VAL . 21.1 mm-40 -59.0 -46.89 87.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.29 174.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.4 t -67.05 -39.29 86.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.147 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.52 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -76.34 -14.61 60.09 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.596 -177.117 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.99 17.51 74.49 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.577 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -93.63 80.69 4.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.143 0.496 . . . . 0.0 110.274 -178.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -55.96 -41.55 74.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.112 -178.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -56.13 -42.74 77.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.048 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.745 HG21 ' HB3' ' A' ' 53' ' ' SER . 48.2 t -68.34 -38.23 79.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.326 -179.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.708 HG21 HE21 ' A' ' 84' ' ' GLN . 78.4 t -58.51 -49.4 82.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.499 176.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.532 ' O ' HG23 ' A' ' 97' ' ' VAL . 69.5 mmtt -65.77 -38.24 88.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.824 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.87 -49.4 77.89 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 120.606 0.241 . . . . 0.0 111.564 175.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 1.027 HD21 ' HA ' ' A' ' 57' ' ' LYS . 81.4 mt -68.96 -33.99 74.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.573 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 50.4 tt0 -57.2 -42.27 80.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.833 177.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 93' ' ' LYS . 89.5 t -60.92 -42.17 91.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.764 0.316 . . . . 0.0 111.032 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -66.99 -35.27 79.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.903 0.382 . . . . 0.0 110.976 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 96' ' ' GLN . 88.0 mt -61.22 -36.35 79.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.525 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.573 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 16.3 mmm180 -70.98 -46.93 61.48 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-O 121.249 0.547 . . . . 0.0 109.884 -178.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.6 ttp85 -53.88 -46.76 71.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.573 175.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.23 -42.28 98.34 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.21 -33.12 75.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.549 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 54.9 mtt180 -64.16 -46.35 84.42 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.15 0.5 . . . . 0.0 110.168 176.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.51 -33.55 64.82 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.004 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -63.46 -46.98 83.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.182 174.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.76 -27.77 43.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.581 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.2 mt -55.56 -38.06 68.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.959 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -103.24 -32.26 9.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.558 0.694 . . . . 0.0 110.838 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -85.86 4.06 38.92 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.381 -170.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -57.08 -56.11 26.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.69 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -135.3 70.01 1.44 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.507 0.67 . . . . 0.0 109.772 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -143.94 123.58 13.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.842 177.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -92.61 -24.61 18.63 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 176.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.335 -0.84 . . . . 0.0 109.667 176.494 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.54 ' OE1' ' HA ' ' A' ' 2' ' ' GLN . 5.5 tp60 -63.86 150.29 45.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.058 0.456 . . . . 0.0 111.088 -175.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.21 103.35 2.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.332 -171.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 59.6 mt -71.66 -25.13 24.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.096 175.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -34.12 66.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.554 -178.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -64.52 -45.75 85.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.31 -176.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -73.42 -32.8 64.63 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.7 0.286 . . . . 0.0 110.563 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.56 -40.81 89.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.878 0.371 . . . . 0.0 110.248 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.477 ' HA ' HD13 ' A' ' 12' ' ' LEU . 43.5 tt0 -66.62 -32.63 74.08 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.554 177.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.78 -30.05 71.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.031 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 86.6 mtp -63.31 -30.12 71.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.354 -178.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 9' ' ' GLU . 10.5 mp -59.0 -39.5 82.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.149 0.499 . . . . 0.0 110.647 178.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.4 -13.84 61.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.025 -178.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -86.45 -5.27 59.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.643 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.55 -27.32 15.53 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.855 -0.688 . . . . 0.0 113.28 175.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.9 m -86.12 79.46 9.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.653 0.74 . . . . 0.0 110.89 -176.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.635 ' HA ' HD21 ' A' ' 21' ' ' LEU . 31.8 t70 -142.6 113.46 7.51 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.638 172.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -135.04 -76.95 0.45 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.965 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.8 tpt -145.4 -57.3 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.78 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.598 HD13 ' HE1' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -77.01 71.51 3.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.314 0.578 . . . . 0.0 110.461 -173.012 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.635 HD21 ' HA ' ' A' ' 17' ' ' ASP . 3.7 pp -175.14 -33.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.433 175.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -73.11 -16.35 61.46 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.748 -175.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.598 ' HE1' HD13 ' A' ' 20' ' ' LEU . 22.1 p90 -69.96 -33.58 72.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.021 0.439 . . . . 0.0 110.34 177.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.6 m -66.94 -33.92 76.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.161 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.2 mt -60.55 -44.25 96.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.726 174.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.412 ' HA2' ' HD2' ' A' ' 29' ' ' TYR . . . -58.85 -43.26 96.72 Favored Glycine 0 C--N 1.333 0.401 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.89 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HG2' ' CZ2' ' A' ' 58' ' ' TRP . 92.9 mttt -56.68 -49.04 76.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.338 0.589 . . . . 0.0 110.487 175.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.3 m -63.4 -35.59 80.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.276 -175.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.412 ' HD2' ' HA2' ' A' ' 26' ' ' GLY . 29.1 m-85 -62.44 -47.23 84.98 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 175.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.05 87.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.418 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.39 -30.15 70.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -88.99 4.92 46.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.066 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 64.37 26.03 13.51 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.248 0.547 . . . . 0.0 111.282 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -98.69 45.94 1.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.609 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -52.59 -39.79 61.98 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.403 -173.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -54.84 -41.46 70.77 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.415 0.626 . . . . 0.0 111.098 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.505 ' O ' ' HD2' ' A' ' 41' ' ' HIS . . . -73.58 -27.41 61.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.95 -177.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.2 -38.25 78.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.371 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.403 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 8.2 mp -51.08 -54.82 33.63 Favored Pre-proline 0 N--CA 1.472 0.629 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -173.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 18.5 Cg_endo -61.45 -38.66 61.91 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 121.738 1.625 . . . . 0.0 112.602 -179.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.505 ' HD2' ' O ' ' A' ' 37' ' ' ALA . 93.8 m-70 -71.93 -39.65 69.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.014 -177.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.7 mt -71.1 -38.8 72.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.729 0.299 . . . . 0.0 110.85 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.1 tpt180 -63.21 -36.74 84.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.272 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.79 -43.33 68.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.081 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.8 -47.34 86.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.1 0.476 . . . . 0.0 110.998 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.401 HD21 ' HB3' ' A' ' 55' ' ' ALA . 82.6 mt -67.31 -24.32 65.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.121 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -69.58 -34.6 74.38 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.879 0.371 . . . . 0.0 110.405 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -81.5 -44.19 17.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.003 177.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -142.98 86.84 9.06 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.066 0.46 . . . . 0.0 110.293 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.55 -6.31 18.81 Favored 'Trans proline' 0 N--CA 1.475 0.407 0 C-N-CA 123.21 2.607 . . . . 0.0 113.783 -172.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.464 ' HA ' ' HZ2' ' A' ' 56' ' ' TRP . 11.9 t -96.14 14.18 24.81 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.778 0.323 . . . . 0.0 111.286 -175.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.512 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 25.1 t80 -75.4 91.31 2.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.125 0.488 . . . . 0.0 109.941 176.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.65 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 1.6 m -48.8 -36.8 17.5 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.311 1.044 . . . . 0.0 113.661 -174.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.512 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 54.9 t -60.53 -40.28 83.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.878 0.37 . . . . 0.0 110.738 -178.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.401 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -68.93 -28.3 66.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.723 -176.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.65 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 43.2 m0 -58.08 -45.6 86.88 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.232 0.539 . . . . 0.0 110.516 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -64.8 -45.34 86.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.27 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.499 ' HD1' ' O ' ' A' ' 54' ' ' VAL . 87.4 m95 -67.47 -42.63 82.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.146 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.23 -49.52 75.75 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.05 -37.52 93.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.62 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -70.28 -24.3 63.02 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-O 120.805 0.336 . . . . 0.0 111.008 -177.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 84.9 m -58.7 -38.64 78.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.986 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.06 -42.46 94.57 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.912 177.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.47 -44.41 97.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.405 177.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.68 -27.15 73.62 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.325 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -78.03 -37.31 47.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.827 0.346 . . . . 0.0 110.233 177.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.9 -0.83 7.26 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.433 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -95.72 89.69 5.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.132 0.492 . . . . 0.0 110.277 -179.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.666 ' HD3' ' HB3' ' A' ' 105' ' ' GLU . 5.5 ptp85 -65.94 -33.67 76.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.056 178.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.01 -47.13 69.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.309 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.48 -37.87 94.84 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.927 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.16 -46.9 85.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.611 0.243 . . . . 0.0 110.747 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -58.62 -50.46 73.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.62 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -64.71 -37.14 86.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.057 -177.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.06 -44.15 80.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.056 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.55 ' HB3' HD21 ' A' ' 99' ' ' LEU . 21.5 m0 -67.52 -37.02 82.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.446 -178.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -61.83 -37.79 85.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.111 0.481 . . . . 0.0 110.384 175.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.4 t -72.6 -40.41 66.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.233 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.78 -31.26 67.54 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.504 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.4 tp -60.98 -50.86 71.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.033 0.444 . . . . 0.0 110.275 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.05 -33.44 73.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.104 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.97 -47.53 77.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.903 0.383 . . . . 0.0 110.002 176.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.638 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -64.57 -41.12 96.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.707 178.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -59.83 -47.75 84.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.0 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.0 t -61.97 -39.41 92.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.506 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 13.2 mmt180 -86.76 -11.57 50.67 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -177.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.09 21.15 57.82 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.643 -0.789 . . . . 0.0 113.042 175.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.16 75.18 9.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.816 0.817 . . . . 0.0 109.683 175.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -60.75 -38.62 85.79 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.256 -1.338 . . . . 0.0 111.763 -174.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.653 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 32.0 tt0 -55.93 -48.15 76.24 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.56 177.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.82 -37.98 81.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.559 -176.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 65.1 t -57.96 -53.17 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.306 177.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.44 ' HD3' ' OE1' ' A' ' 96' ' ' GLN . 74.0 mmtt -66.3 -30.91 71.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.932 -177.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.653 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 49.2 mt-10 -67.88 -47.15 69.67 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.721 0.296 . . . . 0.0 110.548 176.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.0 mt -66.35 -37.16 84.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.461 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.44 ' OE1' ' HD3' ' A' ' 93' ' ' LYS . 48.5 mt-30 -57.78 -31.03 66.14 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 179.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 96.9 t -61.85 -43.93 98.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-O 121.175 0.512 . . . . 0.0 110.415 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -67.35 -38.17 84.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.093 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.55 HD21 ' HB3' ' A' ' 76' ' ' TRP . 3.9 mm? -57.55 -34.4 69.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.845 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.405 ' HD2' HH11 ' A' ' 100' ' ' ARG . 9.5 mtm180 -66.93 -47.36 71.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.292 0.568 . . . . 0.0 110.405 -179.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 101' ' ' ARG . 36.0 ttp180 -71.82 -35.13 69.83 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.566 -177.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.436 ' HG ' ' HZ3' ' A' ' 76' ' ' TRP . 3.3 tm? -65.39 -36.92 85.43 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.076 177.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.43 -30.78 61.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.37 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -56.19 -45.31 79.84 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.667 0.27 . . . . 0.0 110.739 -178.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.666 ' HB3' ' HD3' ' A' ' 69' ' ' ARG . 40.1 mt-10 -63.5 -42.41 98.52 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.114 0.483 . . . . 0.0 110.967 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -72.2 -45.97 58.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.376 -177.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.35 -48.13 81.15 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.7 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 71.2 mt -80.81 -27.3 36.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.642 0.258 . . . . 0.0 111.357 -178.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 54.81 52.99 11.11 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.548 -174.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 86.1 t60 62.33 20.75 12.04 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.483 0.659 . . . . 0.0 110.11 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 68.17 24.53 7.59 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.361 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -130.52 74.55 1.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.49 0.662 . . . . 0.0 110.322 -178.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -71.81 161.92 30.23 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.357 174.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -121.56 93.07 3.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.858 0.361 . . . . 0.0 110.793 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 38.1 m80 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.514 -0.755 . . . . 0.0 109.937 176.75 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.6 mtp . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -137.25 144.96 43.02 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 64.46 156.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 122.205 1.003 . . . . 0.0 112.116 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.5 mm -71.14 -18.17 20.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.827 176.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -55.9 -47.1 78.04 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.805 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -67.91 -41.84 82.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.734 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.588 ' O ' ' HG3' ' A' ' 11' ' ' MET . 5.8 ppt_? -72.56 -31.19 65.07 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.349 -175.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.651 ' HB2' HD21 ' A' ' 25' ' ' LEU . 67.8 mt -63.68 -50.7 68.21 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.216 -0.194 . . . . 0.0 111.104 178.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -59.66 -32.79 70.8 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.873 0.368 . . . . 0.0 111.328 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.81 -30.17 68.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.26 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.625 ' HA ' ' OE1' ' A' ' 14' ' ' GLN . 91.9 mtp -63.42 -27.56 69.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.862 -176.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.425 ' HG ' ' HA ' ' A' ' 17' ' ' ASP . 8.9 mp -63.62 -30.69 71.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.33 . . . . 0.0 110.877 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.92 -16.63 63.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.538 -177.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.625 ' OE1' ' HA ' ' A' ' 11' ' ' MET . 2.1 mp0 -78.19 4.13 13.42 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.151 178.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.79 33.32 4.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 0.0 113.307 173.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.3 m -154.46 96.6 1.92 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.982 0.42 . . . . 0.0 111.179 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.425 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 9.6 p-10 -93.29 96.1 9.77 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.749 0.785 . . . . 0.0 109.301 173.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -108.38 147.9 30.88 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.833 -176.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.72 -32.21 35.83 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.15 -172.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.7 tp -66.2 -32.93 74.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.117 0.484 . . . . 0.0 110.219 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 tt -64.32 -45.8 86.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.324 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.648 ' HG2' HD12 ' A' ' 25' ' ' LEU . 57.4 mtt180 -75.95 -17.16 59.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.579 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.43 -41.91 93.01 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 169.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.7 m -62.37 -38.99 91.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.856 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.651 HD21 ' HB2' ' A' ' 8' ' ' LEU . 34.1 mt -59.68 -46.24 89.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.544 177.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.434 ' HA2' ' HD2' ' A' ' 29' ' ' TYR . . . -58.98 -42.72 97.01 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.822 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 14.6 tmtt? -63.22 -40.27 96.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.374 -0.413 . . . . 0.0 110.57 176.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 m -69.64 -35.6 75.36 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.336 -179.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.518 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 21.7 m-85 -56.71 -46.5 81.22 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.987 0.422 . . . . 0.0 110.879 177.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.67 75.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.659 -175.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 27' ' ' LYS . 41.1 mt-10 -69.22 -33.38 73.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.015 0.436 . . . . 0.0 111.02 -178.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -93.24 12.54 24.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.525 -178.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.425 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 28.0 tt0 63.67 28.91 15.08 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.997 176.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -97.79 45.1 1.03 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.763 0.792 . . . . 0.0 109.08 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.488 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 81.7 m-85 -60.38 -32.07 70.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.735 -1.121 . . . . 0.0 112.176 -173.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.14 -45.01 96.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.353 0.597 . . . . 0.0 110.32 -177.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.5 -28.4 60.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.6 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 29' ' ' TYR . . . -68.34 -37.13 80.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.889 -178.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.576 HD11 ' HG3' ' A' ' 66' ' ' GLN . 89.3 mt -49.66 -54.39 31.81 Favored Pre-proline 0 CA--C 1.541 0.607 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -173.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 51.6 Cg_endo -71.42 -32.24 12.73 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 121.449 1.433 . . . . 0.0 111.536 178.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -66.78 -37.02 83.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.541 -177.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.44 -43.23 67.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.298 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -61.1 -38.25 85.62 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.729 0.299 . . . . 0.0 110.693 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.06 -36.47 79.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.927 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.37 -45.17 81.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.737 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.5 -25.63 68.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.115 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.26 -38.76 88.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.135 0.493 . . . . 0.0 110.496 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -80.81 -43.57 19.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.645 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -145.55 87.26 7.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 120.971 0.415 . . . . 0.0 110.899 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.54 -4.98 16.29 Favored 'Trans proline' 0 N--CA 1.466 -0.126 0 C-N-CA 122.618 2.212 . . . . 0.0 112.195 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.7 p -93.3 11.65 27.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.956 -177.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.501 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 10.9 t80 -81.62 94.63 6.97 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 175.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.503 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 11.8 m -52.02 -41.02 61.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.715 -175.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.501 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 93.1 t -61.27 -36.18 71.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.934 0.397 . . . . 0.0 111.05 -179.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.06 -29.49 70.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.396 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.542 ' HH2' ' HG3' ' A' ' 86' ' ' ARG . 27.6 m0 -63.55 -45.73 89.18 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.444 0.64 . . . . 0.0 110.112 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.944 ' HA ' HD21 ' A' ' 95' ' ' LEU . 82.4 tttt -65.21 -39.21 92.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.964 -177.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -75.77 -29.65 58.85 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.67 -48.1 78.37 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 110.239 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.64 -39.14 97.52 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.051 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -66.96 -33.46 75.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.488 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 29.9 m -64.09 -43.23 96.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.515 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.24 -38.8 78.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.561 177.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -59.91 -49.65 76.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.169 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.15 -18.87 78.22 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.957 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.576 ' HG3' HD11 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -73.06 -30.69 63.89 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -178.758 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.49 -10.42 3.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.109 -1.043 . . . . 0.0 114.107 174.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -113.12 106.32 14.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.807 0.813 . . . . 0.0 111.682 -178.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.535 ' HD2' ' N ' ' A' ' 70' ' ' ALA . 1.9 ppt_? -65.29 -27.96 68.99 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.855 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.535 ' N ' ' HD2' ' A' ' 69' ' ' ARG . . . -66.96 -50.06 63.51 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.249 -173.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.07 -38.53 96.27 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.825 177.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.44 -47.98 83.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.536 0.208 . . . . 0.0 110.928 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -56.13 -50.77 70.19 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.419 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.67 -42.24 92.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.589 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.5 -47.09 87.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.34 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.556 ' CD1' HD22 ' A' ' 95' ' ' LEU . 12.3 m0 -65.27 -47.62 76.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.125 -178.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.6 -35.14 78.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.124 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.3 m -73.41 -45.91 51.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.795 0.331 . . . . 0.0 110.714 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.79 -23.68 69.31 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 121.379 -0.438 . . . . 0.0 112.725 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.9 tp -57.04 -45.02 83.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.215 0.531 . . . . 0.0 110.029 176.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.68 -31.09 71.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.123 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.01 87.27 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.41 -43.48 90.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.601 177.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -57.38 -45.6 84.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.28 174.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 t -59.02 -28.97 66.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.678 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.542 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 18.6 mmm180 -95.07 -13.61 25.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.598 0.237 . . . . 0.0 111.168 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.39 18.56 56.94 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.971 -0.633 . . . . 0.0 113.203 177.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.461 ' O ' HG23 ' A' ' 92' ' ' VAL . 4.3 m-20 -88.99 78.81 7.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.929 0.395 . . . . 0.0 111.12 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -56.93 -37.94 72.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.838 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.487 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 32.7 tt0 -56.31 -47.55 78.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.854 176.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.35 -38.54 82.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.14 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 88' ' ' ASP . 86.3 t -58.17 -44.97 88.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.324 176.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.528 ' O ' HG23 ' A' ' 97' ' ' VAL . 57.2 mtmt -67.0 -41.97 85.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 45.3 mt-10 -60.19 -48.91 79.74 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 120.887 0.375 . . . . 0.0 110.981 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.944 HD21 ' HA ' ' A' ' 57' ' ' LYS . 49.9 mt -68.88 -32.49 72.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.167 -179.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -59.89 -39.52 85.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.987 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 93' ' ' LYS . 64.9 t -59.48 -37.91 72.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.922 -177.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.45 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 92.9 m-85 -62.44 -45.63 92.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.629 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.438 HD21 ' HB2' ' A' ' 76' ' ' TRP . 89.0 mt -62.02 -33.88 75.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.964 -176.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 100' ' ' ARG . 7.5 mtm180 -68.71 -44.61 73.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.409 0.623 . . . . 0.0 110.307 -176.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -70.65 -41.31 72.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.799 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.661 HD13 ' HB2' ' A' ' 106' ' ' ASP . 2.6 tm? -62.93 -43.45 98.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.98 -31.56 60.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.9 -178.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 104' ' ' ARG . 21.3 mtp180 -59.75 -47.69 84.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.974 -179.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -76.41 -38.75 55.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.079 0.466 . . . . 0.0 111.157 175.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.661 ' HB2' HD13 ' A' ' 102' ' ' LEU . 14.7 t70 -62.31 -37.7 86.57 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.676 -175.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.53 -40.33 78.55 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.223 178.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.5 mt -81.23 -51.27 8.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.718 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 106' ' ' ASP . 48.8 mt-10 65.66 -2.4 0.87 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.517 0.727 . . . . 0.0 112.057 -175.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -108.67 -23.6 11.72 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.047 0.451 . . . . 0.0 111.932 -171.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -83.63 -1.89 54.92 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.377 -169.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.428 ' O ' ' HB3' ' A' ' 113' ' ' HIS . 19.6 p80 -99.69 -3.27 33.37 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 118.969 -1.092 . . . . 0.0 113.876 -171.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.428 ' HB3' ' O ' ' A' ' 112' ' ' HIS . 7.8 p80 -175.61 30.73 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 170.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -164.72 151.83 11.21 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.69 -0.632 . . . . 0.0 111.199 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 65.5 m80 . . . . . 0 C--O 1.245 0.824 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.374 172.607 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.5 ptp . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.974 0.416 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -104.55 -175.38 2.78 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.981 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.22 63.18 1.64 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.175 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.488 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 46.7 mm -56.87 -38.91 61.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.332 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.7 t -58.6 -35.52 72.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.259 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.71 -49.1 69.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.715 0.293 . . . . 0.0 110.939 -175.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 4' ' ' ILE . 5.9 ppt_? -66.92 -31.19 71.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.407 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.1 -46.03 75.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.848 176.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.78 -35.47 78.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.002 0.429 . . . . 0.0 110.376 177.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -65.57 -49.6 68.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.199 178.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.8 ptm -69.03 -28.85 66.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.603 0.239 . . . . 0.0 110.556 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.518 HD12 HD22 ' A' ' 21' ' ' LEU . 6.7 tt -62.93 -40.72 98.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.32 -9.3 58.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.366 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 28.8 mm-40 -88.62 -5.3 58.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.923 0.392 . . . . 0.0 110.583 176.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.58 49.7 0.64 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.16 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.442 ' HB ' ' HA ' ' A' ' 12' ' ' LEU . 14.5 m -129.35 89.77 2.9 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -106.56 89.81 3.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.956 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.504 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 13.5 m120 -119.33 157.47 28.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.913 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 19.5 ttt -73.22 -49.6 27.01 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.413 178.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.17 -42.56 98.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.594 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.518 HD22 HD12 ' A' ' 12' ' ' LEU . 5.2 tt -58.92 -37.7 77.27 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 -177.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 18' ' ' ASN . 69.1 mtt180 -59.31 -39.18 82.22 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.727 178.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -70.14 -42.95 71.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.989 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.4 m -56.52 -41.56 76.93 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.138 -178.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.411 HD12 ' HE1' ' A' ' 41' ' ' HIS . 94.1 mt -60.91 -48.89 79.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.383 176.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.31 -41.39 99.52 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.418 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -59.66 -39.72 85.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.864 0.364 . . . . 0.0 110.458 177.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.7 m -65.38 -43.9 89.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.784 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -64.15 -43.57 94.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.935 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.65 -44.34 96.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.132 -176.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.49 -36.95 74.55 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 121.15 0.5 . . . . 0.0 110.873 176.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -91.39 21.78 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.44 -176.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 69.56 19.85 7.29 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.05 172.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -104.13 46.23 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.845 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.475 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 82.5 m-85 -52.87 -36.38 59.0 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.996 -177.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -52.73 -48.53 66.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.842 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.09 -30.31 69.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.158 -176.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.91 -37.02 70.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.748 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 35' ' ' PHE . 95.6 mt -49.48 -54.89 25.96 Favored Pre-proline 0 N--CA 1.469 0.511 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -171.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD3' ' HB2' ' A' ' 39' ' ' LEU . 43.4 Cg_endo -69.06 -32.3 21.77 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 121.526 1.484 . . . . 0.0 112.34 -177.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.411 ' HE1' HD12 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -71.24 -42.69 68.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.599 -176.475 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.2 -40.11 71.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.767 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -62.56 -40.69 97.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.572 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 47' ' ' ASP . . . -64.26 -41.63 96.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.794 0.33 . . . . 0.0 111.174 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.0 -45.55 67.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.257 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.0 mt -65.14 -24.96 67.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.932 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' A' ' 44' ' ' ALA . 29.8 t70 -59.72 -45.43 92.19 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.826 176.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -77.2 -43.52 33.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.43 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -149.08 89.21 4.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 121.296 0.569 . . . . 0.0 110.754 -177.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.25 -2.4 11.13 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 123.184 2.589 . . . . 0.0 113.535 -176.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.63 -6.88 28.37 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -174.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.478 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 16.1 t80 -69.54 94.3 0.75 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.067 0.46 . . . . 0.0 110.016 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.426 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 1.4 p -61.4 -34.25 75.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.778 -172.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.478 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 59.2 t -63.16 -35.92 73.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.084 0.468 . . . . 0.0 110.713 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.3 -28.44 68.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.676 -175.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.812 ' HH2' ' HG3' ' A' ' 86' ' ' ARG . 37.3 m0 -58.67 -47.66 83.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.035 0.445 . . . . 0.0 110.738 -178.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.95 ' HA ' HD21 ' A' ' 95' ' ' LEU . 86.6 tttt -66.45 -36.65 83.31 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.005 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -75.35 -30.55 60.28 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.689 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -42.96 99.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 110.18 -178.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.517 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -64.29 -39.7 97.26 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.919 176.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -63.06 -42.47 99.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.717 0.294 . . . . 0.0 111.537 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.426 ' HB ' ' CD2' ' A' ' 39' ' ' LEU . 1.3 p -71.53 -41.21 69.45 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -175.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.629 HD12 ' HB2' ' A' ' 75' ' ' ALA . 32.0 mt -69.29 -31.35 69.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.766 0.317 . . . . 0.0 110.63 175.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -64.63 -48.93 73.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.415 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 63.51 19.22 62.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.208 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 66.24 18.43 10.93 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.115 0.566 . . . . 0.0 111.04 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -148.18 -41.62 0.04 OUTLIER Glycine 0 CA--C 1.523 0.537 0 C-N-CA 120.048 -1.072 . . . . 0.0 113.942 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -90.8 99.21 12.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.585 0.707 . . . . 0.0 110.891 -173.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -65.67 -29.91 70.53 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.84 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' A' ' 74' ' ' GLN . . . -67.0 -50.2 62.96 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 121.181 -0.208 . . . . 0.0 111.511 -175.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.44 -35.2 91.66 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.386 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.48 ' HB1' ' CZ3' ' A' ' 76' ' ' TRP . . . -60.73 -50.34 73.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.387 -0.406 . . . . 0.0 110.819 176.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -57.77 -49.22 77.32 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.757 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 70' ' ' ALA . 97.0 mt-30 -55.97 -45.9 78.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.77 -177.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.629 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -67.64 -47.57 69.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.033 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.517 ' NE1' ' HA3' ' A' ' 60' ' ' GLY . 24.5 m0 -67.41 -37.13 82.61 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -173.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -62.85 -39.6 94.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.022 0.439 . . . . 0.0 110.284 176.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -70.46 -44.86 66.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.348 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.53 -34.97 90.59 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.035 178.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.0 tp -62.98 -46.76 86.17 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.173 0.511 . . . . 0.0 110.1 179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.21 -33.34 74.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.197 177.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.13 -41.92 89.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.233 0.54 . . . . 0.0 109.856 175.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.97 -36.77 78.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.813 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -61.77 -46.05 91.25 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.316 174.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.6 t -59.31 -38.28 79.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.786 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.812 ' HG3' ' HH2' ' A' ' 56' ' ' TRP . 7.1 mmm180 -76.53 -15.69 59.81 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 177.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.61 24.18 67.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.939 -174.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.476 ' O ' HG23 ' A' ' 92' ' ' VAL . 3.9 m-20 -93.44 86.38 5.23 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.615 0.721 . . . . 0.0 110.645 -176.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -53.78 -40.2 66.06 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.238 -1.347 . . . . 0.0 112.834 -177.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -56.64 -43.84 80.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.321 . . . . 0.0 111.066 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.2 t -71.81 -37.82 63.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.981 0.42 . . . . 0.0 110.108 -178.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 88' ' ' ASP . 64.6 t -58.19 -47.5 87.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.325 177.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.577 ' O ' HG23 ' A' ' 97' ' ' VAL . 46.6 mtmt -62.8 -44.35 96.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.768 -178.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.86 -49.39 77.93 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.95 HD21 ' HA ' ' A' ' 57' ' ' LYS . 64.5 mt -69.62 -32.67 71.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.819 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -59.72 -39.9 86.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 93' ' ' LYS . 90.1 t -59.12 -38.38 73.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.489 -177.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -65.02 -41.13 95.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.197 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.19 -36.25 83.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.081 0.467 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -75.28 -47.84 26.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.286 0.565 . . . . 0.0 109.852 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.492 ' O ' ' HG2' ' A' ' 105' ' ' GLU . 51.7 ttt180 -59.1 -41.0 87.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.048 176.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 47.4 tp -58.11 -38.24 76.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.744 0.307 . . . . 0.0 110.716 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.78 -31.71 72.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.442 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.423 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 82.4 mtt180 -65.0 -47.54 77.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.987 0.422 . . . . 0.0 110.134 175.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' ' 101' ' ' ARG . 4.6 mm-40 -64.77 -44.28 90.54 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.08 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.413 ' OD2' ' HB3' ' A' ' 111' ' ' HIS . 19.9 t70 -60.49 -41.3 93.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.014 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.82 -29.96 71.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.469 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 105' ' ' GLU . 88.1 mt -59.11 -41.95 89.37 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.893 0.378 . . . . 0.0 110.499 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -85.83 10.54 13.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.894 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 57.19 34.89 25.49 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.51 178.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.413 ' HB3' ' OD2' ' A' ' 106' ' ' ASP . 12.2 t-80 -80.79 -62.07 1.78 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 68.91 92.11 0.09 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.163 0.506 . . . . 0.0 111.858 168.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -137.18 -34.35 0.72 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.819 174.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 64.07 16.88 10.28 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.013 0.525 . . . . 0.0 111.147 -178.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 . . . . . 0 C--O 1.243 0.722 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.5 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.476 ' HA ' ' CD ' ' A' ' 6' ' ' GLU . 50.3 ttm . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 121.048 0.452 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -143.16 152.64 42.02 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 170.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 71.2 164.51 0.28 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 122.082 0.944 . . . . 0.0 110.958 -177.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.52 HG22 ' HG ' ' A' ' 8' ' ' LEU . 74.9 mt -72.16 -22.36 20.97 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.582 -175.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.459 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 1.2 p -57.06 -51.4 69.44 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 -176.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.476 ' CD ' ' HA ' ' A' ' 1' ' ' MET . 45.8 mt-10 -63.7 -38.84 92.64 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -174.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -73.81 -32.16 63.6 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.784 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.52 ' HG ' HG22 ' A' ' 4' ' ' ILE . 32.9 mt -66.37 -35.42 80.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.764 176.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 5' ' ' THR . 7.7 mm-40 -52.33 -41.47 63.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.919 0.39 . . . . 0.0 110.627 176.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -71.35 -39.08 71.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.044 177.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 88.7 mtp -68.67 -41.48 79.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.687 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 12' ' ' LEU . 4.1 mm? -64.53 -29.22 70.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.891 0.377 . . . . 0.0 110.581 177.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.71 -7.16 54.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.325 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 77.6 mm-40 -89.93 -8.44 51.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.808 178.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.9 32.7 13.98 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.367 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -102.6 78.41 1.71 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.426 0.631 . . . . 0.0 109.917 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -76.95 125.92 30.12 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.437 -176.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.617 ' HB2' ' HB2' ' A' ' 21' ' ' LEU . 42.4 m-80 -145.97 154.34 41.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.451 174.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -82.21 -45.39 15.13 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 176.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 99.1 mt -78.95 24.3 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 18' ' ' ASN . 26.4 tp -115.78 -29.7 6.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.51 175.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -77.48 -29.32 52.57 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.515 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -67.22 -32.49 73.57 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.846 -179.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 m -61.1 -41.36 96.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.098 176.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.32 -48.3 73.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.282 176.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.447 ' HA2' ' CD2' ' A' ' 29' ' ' TYR . . . -58.49 -47.26 90.91 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.599 -0.728 . . . . 0.0 113.302 -176.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 40.7 mtpt -58.45 -40.45 82.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.913 0.387 . . . . 0.0 110.726 178.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.2 m -67.26 -34.09 76.7 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.219 -176.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.447 ' CD2' ' HA2' ' A' ' 26' ' ' GLY . 26.7 m-85 -60.07 -46.35 89.85 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.956 0.408 . . . . 0.0 110.182 177.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.99 86.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.352 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -64.2 -22.71 67.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.503 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -102.48 14.95 30.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.139 -175.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 68.48 20.66 8.43 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.533 0.682 . . . . 0.0 110.775 175.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.483 ' HG3' ' HB3' ' A' ' 37' ' ' ALA . 44.6 tp60 -108.85 46.27 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.754 -177.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.412 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 70.4 m-85 -54.71 -35.6 63.82 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.427 -176.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -53.52 -49.1 68.29 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.375 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.483 ' HB3' ' HG3' ' A' ' 34' ' ' GLN . . . -74.99 -28.41 60.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.257 -177.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.53 91.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.325 -177.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.495 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 84.0 mt -53.54 -54.44 45.68 Favored Pre-proline 0 CA--C 1.543 0.683 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 -171.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.538 ' HG2' ' HD2' ' A' ' 41' ' ' HIS . 51.1 Cg_endo -71.68 -32.51 11.72 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 121.539 1.493 . . . . 0.0 112.682 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.538 ' HD2' ' HG2' ' A' ' 40' ' ' PRO . 12.4 m-70 -71.62 -36.21 70.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.744 -177.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.17 -39.95 95.09 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.336 174.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -59.87 -39.79 86.45 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.494 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.23 -37.76 72.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.575 -176.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.01 -48.65 43.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.892 0.377 . . . . 0.0 111.625 175.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 55' ' ' ALA . 90.5 mt -74.32 -26.65 60.29 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -173.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -62.93 -38.01 89.3 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.139 0.495 . . . . 0.0 109.756 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -83.28 -43.64 15.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.442 176.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -140.31 88.76 11.17 Favored Pre-proline 0 N--CA 1.464 0.252 0 CA-C-O 120.942 0.401 . . . . 0.0 110.922 -174.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -81.0 -1.51 11.25 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 123.078 2.519 . . . . 0.0 113.117 -175.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -17.99 50.41 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -173.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 11.1 t80 -77.93 96.32 5.0 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.952 0.406 . . . . 0.0 111.154 -175.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.652 ' HB3' HG21 ' A' ' 91' ' ' VAL . 14.8 m -56.23 -38.61 71.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.423 -177.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.57 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 21.5 t -57.35 -36.05 51.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 121.123 0.487 . . . . 0.0 110.949 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.489 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -68.55 -28.65 67.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.862 -176.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.525 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 11.3 m0 -63.19 -47.27 83.33 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.661 0.743 . . . . 0.0 109.046 178.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.658 ' HA ' HD21 ' A' ' 95' ' ' LEU . 30.8 ttpt -65.18 -34.82 79.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.834 178.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.414 ' HD1' HG12 ' A' ' 54' ' ' VAL . 20.1 m95 -65.67 -47.02 76.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.266 175.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.47 -48.35 77.29 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.415 -178.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.09 -41.08 99.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -71.39 -26.22 62.69 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.088 0.47 . . . . 0.0 110.602 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.406 HG23 ' HD1' ' A' ' 35' ' ' PHE . 65.0 m -71.8 -42.51 66.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.558 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.55 HD12 ' HB2' ' A' ' 75' ' ' ALA . 36.6 mt -67.2 -29.76 69.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.28 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.622 ' HA ' ' HB2' ' A' ' 72' ' ' ALA . 21.2 tp60 -56.45 -50.07 72.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.731 177.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.51 17.05 11.97 Favored Glycine 0 CA--C 1.521 0.406 0 CA-C-N 116.012 -0.54 . . . . 0.0 113.178 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.621 ' H ' ' HG3' ' A' ' 64' ' ' GLN . 49.9 tt0 65.94 13.98 9.34 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 122.943 0.497 . . . . 0.0 110.987 -178.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.89 -44.21 0.04 OUTLIER Glycine 0 CA--C 1.521 0.46 0 C-N-CA 119.944 -1.122 . . . . 0.0 114.191 -175.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -91.31 95.91 10.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.531 0.682 . . . . 0.0 110.513 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.7 ptp85 -65.86 -29.54 70.0 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.766 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.91 -50.3 56.96 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.424 -173.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.39 -39.14 91.58 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.694 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.622 ' HB2' ' HA ' ' A' ' 64' ' ' GLN . . . -62.06 -51.98 65.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.754 0.312 . . . . 0.0 110.842 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.491 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 69.8 ttt180 -59.67 -51.05 71.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.369 -178.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -57.2 -38.15 73.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.136 -177.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.55 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -67.13 -44.36 80.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.347 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.527 ' HB3' HD21 ' A' ' 99' ' ' LEU . 20.0 m0 -71.02 -39.85 72.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.282 -177.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 73' ' ' ARG . 12.3 mm-40 -60.11 -42.62 95.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.265 0.555 . . . . 0.0 109.769 178.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -74.13 -43.3 57.99 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.259 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.36 -24.56 73.63 Favored Glycine 0 C--N 1.331 0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.911 -177.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.4 tp -58.72 -43.55 90.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.112 0.482 . . . . 0.0 110.256 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.08 75.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.349 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.98 90.47 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 176.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.53 -42.49 91.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.659 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -58.23 -49.4 77.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.278 177.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.2 t -63.46 -38.16 90.09 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.283 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.502 ' HG3' ' CH2' ' A' ' 56' ' ' TRP . 10.3 mmm180 -76.24 -13.21 60.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.701 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.53 22.42 78.52 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.601 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 92' ' ' VAL . 13.2 t0 -89.78 82.23 6.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.65 0.738 . . . . 0.0 109.404 -176.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -64.14 -37.25 86.79 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.312 -175.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.59 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 46.4 tt0 -55.93 -47.62 77.19 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.515 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.652 HG21 ' HB3' ' A' ' 53' ' ' SER . 75.4 t -64.91 -37.16 79.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.688 -177.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 88' ' ' ASP . 64.2 t -57.54 -47.98 84.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.449 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.423 ' O ' HG23 ' A' ' 97' ' ' VAL . 53.5 mtmt -67.72 -40.68 84.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.422 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 88.8 mt-10 -61.34 -48.38 81.59 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.775 0.321 . . . . 0.0 110.96 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.658 HD21 ' HA ' ' A' ' 57' ' ' LYS . 59.2 mt -67.63 -34.49 77.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.603 178.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -56.78 -33.98 67.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.171 178.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 93' ' ' LYS . 93.1 t -59.7 -40.62 82.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.239 0.542 . . . . 0.0 110.241 179.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.41 ' HB3' ' CH2' ' A' ' 76' ' ' TRP . 98.4 m-85 -67.68 -36.42 80.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.835 178.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.527 HD21 ' HB3' ' A' ' 76' ' ' TRP . 4.0 mm? -62.18 -35.6 79.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.426 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -65.68 -44.84 85.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.503 0.668 . . . . 0.0 109.89 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 101' ' ' ARG . 22.6 ttt180 -63.7 -41.62 98.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.646 177.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -39.19 88.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.823 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.03 -31.6 68.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.889 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -69.16 -28.89 66.82 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.546 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -75.65 -41.44 54.07 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.063 0.458 . . . . 0.0 109.819 172.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.58 -44.33 76.81 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.928 174.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.06 -27.73 34.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.481 -1.236 . . . . 0.0 112.499 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 91.6 mt -68.0 -36.5 80.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.067 0.46 . . . . 0.0 110.544 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -96.53 -4.18 41.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.711 0.767 . . . . 0.0 110.57 -178.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -121.66 11.46 10.52 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.038 -173.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -68.88 -38.73 79.86 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.195 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -86.34 64.43 8.54 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 174.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -41.25 -43.23 2.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 113.285 -1.779 . . . . 0.0 112.567 -175.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 74.38 -46.4 0.61 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.127 0.571 . . . . 0.0 111.587 176.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 85.1 t60 . . . . . 0 C--O 1.244 0.788 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 175.315 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -78.51 177.0 8.88 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 174.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.527 ' HB3' ' HG3' ' A' ' 6' ' ' GLU . . . -100.76 127.28 47.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.275 0.56 . . . . 0.0 110.202 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.542 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 62.5 mt -60.11 -28.47 41.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.495 178.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.482 HG22 ' HA ' ' A' ' 25' ' ' LEU . 1.7 p -57.46 -37.16 72.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.475 178.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.527 ' HG3' ' HB3' ' A' ' 3' ' ' ALA . 39.2 mt-10 -56.3 -49.73 73.46 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 -177.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 4' ' ' ILE . 7.8 ptp180 -74.76 -32.87 62.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.191 -179.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.565 HD22 HD11 ' A' ' 21' ' ' LEU . 70.9 mt -67.19 -38.15 84.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.413 -178.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.82 -36.2 62.25 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.627 0.251 . . . . 0.0 111.348 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.32 -38.94 85.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.924 0.392 . . . . 0.0 110.773 177.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.5 ttm -68.68 -39.38 80.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.466 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.93 -37.17 78.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.694 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.05 -6.49 45.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.922 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -91.56 4.2 53.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.671 0.272 . . . . 0.0 110.813 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.49 37.16 11.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.77 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 m -132.24 93.99 3.37 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 -177.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.505 ' HB3' HH11 ' A' ' 22' ' ' ARG . 6.7 m-20 -93.7 -45.37 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.194 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 59.93 -159.24 0.31 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.152 -178.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 14.0 tpt -111.91 -59.2 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.085 0.469 . . . . 0.0 110.482 176.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 20' ' ' LEU . 2.2 tm? -67.32 -32.49 73.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.166 -176.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.565 HD11 HD22 ' A' ' 8' ' ' LEU . 45.8 tp -60.5 -59.83 4.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.448 -177.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.505 HH11 ' HB3' ' A' ' 17' ' ' ASP . 8.2 ptm180 -60.35 -28.01 67.83 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -176.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -69.67 -41.09 75.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.379 . . . . 0.0 110.67 176.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 95.2 m -57.82 -36.53 72.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.788 -176.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.482 ' HA ' HG22 ' A' ' 5' ' ' THR . 7.4 mp -65.44 -44.02 88.62 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.986 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.17 -47.94 88.42 Favored Glycine 0 C--O 1.228 -0.241 0 C-N-CA 120.861 -0.685 . . . . 0.0 113.092 -173.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -63.67 -35.95 82.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.891 0.376 . . . . 0.0 111.422 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.9 m -69.13 -36.4 77.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -68.34 -36.36 79.12 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.884 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.7 90.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 0.0 110.634 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.9 -22.4 65.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.616 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.91 18.59 7.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.897 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 67.55 23.89 8.79 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.374 0.607 . . . . 0.0 111.354 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -118.69 43.12 2.6 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 175.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -58.66 -32.11 68.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.195 -1.366 . . . . 0.0 112.286 -175.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -55.86 -48.08 76.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.223 0.535 . . . . 0.0 110.468 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.01 -27.9 61.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.948 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.08 87.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.632 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.6 mt -51.9 -54.42 40.64 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -174.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -65.12 -32.36 52.88 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 121.427 1.418 . . . . 0.0 112.343 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -72.18 -37.14 69.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.764 -178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.8 mt -71.0 -47.75 57.06 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 ttt85 -62.92 -31.59 72.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.581 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.04 -32.46 72.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.821 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.03 -46.91 64.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.919 0.39 . . . . 0.0 110.539 177.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' A' ' 55' ' ' ALA . 71.7 mt -65.29 -24.34 67.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.984 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -55.91 -41.62 74.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.127 0.489 . . . . 0.0 111.069 -179.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -81.59 -38.63 25.79 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.417 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -144.29 89.65 6.92 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.827 0.346 . . . . 0.0 110.619 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -69.22 -3.6 11.99 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 123.298 2.665 . . . . 0.0 113.375 -175.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.66 10.92 9.93 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -172.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.487 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 10.6 t80 -82.98 95.09 7.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.279 0.561 . . . . 0.0 110.365 -179.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.654 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 4.9 m -56.61 -33.36 66.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.08 -0.963 . . . . 0.0 112.965 -173.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.487 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 54.4 t -63.11 -36.49 76.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.013 0.435 . . . . 0.0 110.583 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.547 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -71.07 -28.77 64.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.589 -176.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.654 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 33.0 m0 -60.6 -48.38 82.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.214 0.531 . . . . 0.0 110.128 -178.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.569 ' HA ' HD21 ' A' ' 95' ' ' LEU . 38.5 ttpt -66.47 -34.94 79.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.787 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -66.13 -37.58 86.05 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.989 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 72.2 mt -56.62 -52.27 65.51 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.659 0.266 . . . . 0.0 111.481 -177.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.89 -39.1 97.61 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.16 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -59.01 -44.09 91.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.159 0.504 . . . . 0.0 110.963 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.3 m -70.5 -36.77 73.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.639 -177.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.36 -34.82 76.76 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.049 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -60.8 -48.61 81.04 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.204 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.97 -28.43 71.8 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.073 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -65.65 -38.05 88.26 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.145 0.497 . . . . 0.0 109.675 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.67 -10.82 4.6 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.325 -0.941 . . . . 0.0 113.577 173.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -90.27 98.61 11.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.613 0.721 . . . . 0.0 110.866 -174.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 69' ' ' ARG . 20.1 ttp180 -61.02 -43.82 98.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.743 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.497 ' O ' ' HG2' ' A' ' 74' ' ' GLN . . . -67.52 -49.22 64.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.197 -178.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.7 -43.2 96.49 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.636 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.87 -42.38 97.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.059 0.457 . . . . 0.0 110.387 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -63.02 -48.82 77.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.367 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 70' ' ' ALA . 12.8 mm-40 -65.23 -40.25 93.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.952 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.41 94.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.173 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.488 ' CH2' ' HB3' ' A' ' 98' ' ' PHE . 22.2 m0 -68.68 -36.89 79.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.417 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.42 -35.11 70.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.67 0.271 . . . . 0.0 111.287 177.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.9 m -70.24 -42.29 72.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.023 0.44 . . . . 0.0 109.842 176.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.37 -25.63 73.66 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.13 177.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.404 HD11 HG13 ' A' ' 92' ' ' VAL . 12.1 tp -62.57 -53.67 51.21 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.278 0.561 . . . . 0.0 110.081 178.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.75 -30.86 71.89 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.934 178.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.01 84.29 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.635 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -64.88 -42.25 94.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.513 177.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -58.76 -46.67 86.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.377 175.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 t -61.51 -38.96 89.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.158 178.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -79.66 -16.03 56.5 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 120.9 0.381 . . . . 0.0 111.771 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.97 13.26 72.28 Favored Glycine 0 CA--C 1.523 0.577 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.406 -177.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.403 ' O ' HG23 ' A' ' 92' ' ' VAL . 10.6 m-20 -84.32 79.29 9.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.322 0.582 . . . . 0.0 110.553 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -62.22 -36.18 81.16 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.745 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -56.1 -47.47 78.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.439 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.409 HG21 ' HB3' ' A' ' 53' ' ' SER . 53.3 t -65.79 -38.68 82.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.761 -177.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.449 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 90.1 t -58.39 -50.28 79.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.514 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -67.72 -35.36 78.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.343 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -58.86 -49.06 79.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.092 0.473 . . . . 0.0 110.6 173.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.569 HD21 ' HA ' ' A' ' 57' ' ' LYS . 98.7 mt -63.67 -32.82 74.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.405 -179.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 92' ' ' VAL . 30.0 mm-40 -56.87 -38.11 72.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.216 178.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.6 t -62.44 -44.85 99.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.32 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.488 ' HB3' ' CH2' ' A' ' 76' ' ' TRP . 89.1 m-85 -68.35 -38.0 81.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.213 -175.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.4 -32.44 68.62 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.953 0.406 . . . . 0.0 111.696 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -65.36 -44.9 86.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.087 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -55.35 -43.6 75.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.391 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 102' ' ' LEU . 12.4 mt -67.63 -31.65 71.8 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.08 -34.56 73.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.884 0.374 . . . . 0.0 110.443 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -73.21 -34.53 65.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.031 0.443 . . . . 0.0 110.317 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.68 -42.49 86.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.458 175.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 12.5 t70 -71.46 -35.06 70.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.961 -177.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.28 -52.44 62.0 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.561 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.3 mt -80.01 -51.28 9.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.425 -176.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 106' ' ' ASP . 51.8 mt-10 62.08 5.07 1.34 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.335 0.654 . . . . 0.0 112.694 -176.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -110.43 -15.83 13.83 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.396 0.617 . . . . 0.0 110.182 178.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -80.05 -22.84 41.87 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.281 177.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -105.73 2.44 27.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.799 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -137.2 87.78 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.576 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -153.19 -28.28 0.14 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.12 175.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.3 t60 . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.532 -0.747 . . . . 0.0 109.346 176.864 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.177 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -71.2 161.88 30.36 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.567 ' HB1' ' HG2' ' A' ' 6' ' ' GLU . . . -72.72 86.81 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.323 0.582 . . . . 0.0 111.091 -177.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.9 mt -66.85 -35.98 76.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.135 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.8 p -59.56 -43.28 93.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.718 -177.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.567 ' HG2' ' HB1' ' A' ' 3' ' ' ALA . 5.1 mm-40 -69.21 -39.85 78.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.133 -174.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -73.99 -32.2 63.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.5 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.526 ' HB3' HD11 ' A' ' 25' ' ' LEU . 75.2 mt -68.03 -47.14 69.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.729 0.299 . . . . 0.0 110.923 176.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.68 -32.75 73.88 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.356 0.598 . . . . 0.0 110.399 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.19 -28.27 67.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.511 178.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.3 ttp -58.25 -25.14 61.39 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.638 -175.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.582 ' HA ' ' O ' ' A' ' 16' ' ' THR . 60.6 mt -58.04 -35.71 71.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.955 0.407 . . . . 0.0 110.808 177.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.44 -6.05 52.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.647 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -86.92 2.74 48.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.976 0.417 . . . . 0.0 110.688 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.41 39.07 3.8 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.967 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.582 ' O ' ' HA ' ' A' ' 12' ' ' LEU . 24.8 m -150.09 96.01 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -115.49 106.0 13.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.966 0.412 . . . . 0.0 111.328 -176.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -147.81 165.51 30.34 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 176.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.06 -24.07 28.28 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 171.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.421 ' HA ' HD22 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -75.54 67.15 2.02 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.997 -178.615 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.51 ' O ' HG22 ' A' ' 24' ' ' THR . 4.0 pp -175.63 -34.52 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.671 -1.15 . . . . 0.0 109.222 175.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.792 ' HA ' HD13 ' A' ' 25' ' ' LEU . 74.0 mtt180 -70.83 -13.6 62.1 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.758 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -62.75 -40.41 97.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.582 0.23 . . . . 0.0 110.687 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 21' ' ' LEU . 14.8 t -69.82 -34.07 73.18 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.792 HD13 ' HA ' ' A' ' 22' ' ' ARG . 7.2 mp -63.26 -50.25 70.9 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 176.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.435 ' HA2' ' HD2' ' A' ' 29' ' ' TYR . . . -60.45 -43.08 99.14 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.373 -178.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -63.19 -38.78 92.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.751 0.31 . . . . 0.0 110.259 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.0 m -68.4 -37.68 80.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.973 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.435 ' HD2' ' HA2' ' A' ' 26' ' ' GLY . 50.3 m-85 -59.59 -47.3 86.11 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 174.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.09 -45.18 93.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.966 -178.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.18 -22.63 66.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.39 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -91.12 7.14 42.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 69.44 15.76 8.31 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.856 0.862 . . . . 0.0 110.744 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -95.02 43.77 1.09 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -178.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.639 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 90.6 m-85 -55.09 -34.77 63.92 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.05 -177.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -53.01 -50.69 63.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.939 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.48 -28.87 56.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.273 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.12 -38.37 85.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.585 -177.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.45 ' HB3' ' HD3' ' A' ' 40' ' ' PRO . 1.6 tt -53.58 -54.81 41.71 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.233 -173.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' ' 39' ' ' LEU . 45.9 Cg_endo -71.24 -30.81 15.33 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.519 1.479 . . . . 0.0 112.491 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.55 -40.46 76.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.048 0.451 . . . . 0.0 110.158 -177.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.434 HD21 ' HA3' ' A' ' 26' ' ' GLY . 79.1 mt -71.97 -45.09 62.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.738 175.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -59.21 -38.34 79.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.177 -177.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.9 -43.64 98.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.765 0.317 . . . . 0.0 110.994 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.49 -42.55 74.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.02 0.438 . . . . 0.0 110.697 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 55' ' ' ALA . 83.5 mt -64.96 -25.03 67.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.339 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.77 -33.73 76.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.916 0.388 . . . . 0.0 110.237 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -78.11 -44.12 27.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.63 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -146.83 88.07 6.09 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 121.148 0.499 . . . . 0.0 110.175 -177.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.88 -2.79 10.85 Favored 'Trans proline' 0 N--CA 1.469 0.063 0 C-N-CA 123.141 2.561 . . . . 0.0 113.488 -174.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.61 -1.64 14.31 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -173.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -78.52 88.98 4.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.481 0.658 . . . . 0.0 110.775 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.882 ' HB2' HG21 ' A' ' 91' ' ' VAL . 9.8 p -55.98 -36.73 68.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.857 -1.065 . . . . 0.0 113.172 -175.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.1 t -57.08 -36.54 51.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.071 0.462 . . . . 0.0 111.06 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.463 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -70.95 -28.63 64.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.812 -176.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.652 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 19.5 m0 -63.51 -47.29 82.29 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.55 0.69 . . . . 0.0 110.036 -178.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.55 ' HA ' HD21 ' A' ' 95' ' ' LEU . 21.5 tttt -62.26 -40.84 97.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.629 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -75.4 -28.54 59.48 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.411 ' O ' ' HB ' ' A' ' 62' ' ' THR . 6.7 tt -58.17 -41.65 84.29 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.424 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -60.65 -44.04 98.32 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.225 176.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -66.9 -24.69 66.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.719 0.295 . . . . 0.0 110.896 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.639 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 72.6 m -63.35 -49.52 73.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.345 178.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.41 -38.54 87.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.759 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 17.6 tm0? -60.18 -50.11 74.95 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.329 -178.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.34 -22.31 76.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.562 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.27 -28.88 66.69 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 120.91 8.5 8.02 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.98 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -113.57 93.08 4.22 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.469 ' HD3' ' CB ' ' A' ' 105' ' ' GLU . 28.0 ttm-85 -66.25 -38.57 88.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.78 -177.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.83 84.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.389 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.39 -28.92 73.71 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.66 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.34 -50.73 62.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.664 0.269 . . . . 0.0 111.102 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 50.0 ptt85 -67.3 -41.98 84.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.478 -176.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -64.65 -33.62 76.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.935 0.398 . . . . 0.0 110.464 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.86 99.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.601 178.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.518 ' CD1' HD22 ' A' ' 95' ' ' LEU . 12.1 m0 -71.08 -37.05 72.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.859 178.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.97 -40.3 92.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.873 0.368 . . . . 0.0 110.338 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.2 t -73.6 -41.61 62.62 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.552 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.95 -28.41 73.63 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 121.273 -0.489 . . . . 0.0 112.895 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.441 HD11 HG13 ' A' ' 92' ' ' VAL . 12.5 tp -59.42 -49.16 78.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.076 0.465 . . . . 0.0 110.155 178.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.12 71.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.599 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.34 96.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.022 0.439 . . . . 0.0 110.104 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.27 -41.16 73.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.49 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -58.27 -41.85 85.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.972 176.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.0 m -56.22 -39.58 72.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.107 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.8 mmt-85 -90.22 -13.46 35.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.885 0.374 . . . . 0.0 111.785 178.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.73 38.13 57.03 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.647 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.501 ' O ' HG23 ' A' ' 92' ' ' VAL . 10.2 t0 -92.39 88.24 6.32 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.512 0.672 . . . . 0.0 109.206 -179.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -60.31 -35.67 76.13 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.282 -176.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -56.82 -48.25 78.42 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.789 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.882 HG21 ' HB2' ' A' ' 53' ' ' SER . 98.0 t -70.58 -37.66 70.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.709 -177.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 88' ' ' ASP . 91.2 t -58.17 -51.06 75.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.307 177.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -61.81 -39.65 92.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.336 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -58.65 -49.41 77.62 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.16 0.505 . . . . 0.0 111.224 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' A' ' 57' ' ' LYS . 90.7 mt -67.86 -32.33 72.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.224 -177.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' ' 92' ' ' VAL . 19.5 mm-40 -56.8 -37.37 71.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.826 176.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.72 -41.83 85.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 121.034 0.445 . . . . 0.0 110.508 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -65.48 -32.86 74.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.351 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.47 -35.61 79.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.063 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 27.1 mtt180 -71.45 -44.82 64.09 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.903 0.858 . . . . 0.0 109.076 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -56.49 -47.99 78.08 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 113.654 -1.612 . . . . 0.0 110.752 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.99 -42.69 76.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.442 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.78 -37.83 74.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.507 -177.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.419 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 82.6 mtt180 -61.71 -33.77 74.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.16 177.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.469 ' CB ' ' HD3' ' A' ' 69' ' ' ARG . 54.9 mt-10 -75.34 -47.26 28.5 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 120.68 0.276 . . . . 0.0 111.129 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -67.23 -37.0 82.84 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.102 0.477 . . . . 0.0 110.396 -176.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.59 -27.69 62.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.39 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 104' ' ' ARG . 97.3 mt -75.83 -34.52 60.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 0.0 110.906 178.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -88.02 -19.04 27.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.437 0.637 . . . . 0.0 111.205 -174.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -121.51 22.43 10.67 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.68 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -58.68 -65.64 0.62 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.915 -174.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -116.11 59.59 0.73 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.045 0.45 . . . . 0.0 110.632 -176.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -84.11 117.75 23.66 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -79.16 131.83 36.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.978 0.418 . . . . 0.0 110.721 -178.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 28.7 m170 . . . . . 0 C--O 1.248 1.015 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.152 -176.055 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.67 0.272 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -82.49 170.89 14.73 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.14 174.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.438 ' HB3' ' HG2' ' A' ' 6' ' ' GLU . . . -150.31 143.64 25.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.023 0.439 . . . . 0.0 111.024 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.469 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 81.4 mt -59.78 -39.82 80.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.841 176.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.484 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 17.8 p -61.53 -49.55 76.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.153 -176.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.438 ' HG2' ' HB3' ' A' ' 3' ' ' ALA . 11.0 pt-20 -65.44 -37.93 88.37 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -175.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 4' ' ' ILE . 8.2 ppt_? -72.11 -31.0 65.64 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.61 -0.436 . . . . 0.0 109.933 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.571 ' HB3' HD11 ' A' ' 25' ' ' LEU . 63.0 mt -64.43 -45.26 88.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.199 171.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 5' ' ' THR . 43.5 mt-10 -59.96 -36.08 76.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.693 177.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.39 72.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.28 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 86.0 mtp -60.86 -33.27 72.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.892 0.377 . . . . 0.0 110.558 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.48 -30.66 61.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.951 0.405 . . . . 0.0 110.174 176.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.13 -37.4 69.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.052 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -77.46 -8.43 57.75 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.411 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.23 21.48 29.78 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.762 -0.732 . . . . 0.0 113.552 173.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 m -96.58 45.83 1.06 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.585 0.707 . . . . 0.0 110.088 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -73.42 143.05 46.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.835 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.468 ' O ' ' HB2' ' A' ' 19' ' ' MET . 21.3 m-80 -147.06 -13.97 0.41 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.0 -175.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.468 ' HB2' ' O ' ' A' ' 18' ' ' ASN . 72.6 mmm 73.68 -50.0 0.69 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.966 -173.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.91 60.25 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.689 . . . . 0.0 110.15 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -160.69 -48.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.411 -177.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.913 ' HA ' HD13 ' A' ' 25' ' ' LEU . 4.2 ptp85 -69.95 -10.07 57.29 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -69.54 -31.86 70.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.092 0.472 . . . . 0.0 110.74 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.5 m -66.45 -34.0 76.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.158 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.913 HD13 ' HA ' ' A' ' 22' ' ' ARG . 8.3 mp -56.75 -45.82 81.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.029 -178.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.477 ' HA3' HD21 ' A' ' 42' ' ' LEU . . . -64.2 -33.13 86.42 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.375 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.97 -46.78 89.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.42 0.153 . . . . 0.0 111.147 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.8 m -57.81 -42.04 83.43 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.451 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -62.9 -42.88 99.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.949 0.404 . . . . 0.0 110.122 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.51 -37.71 80.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.134 -177.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -71.11 -22.44 62.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.185 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -88.59 7.72 31.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.615 175.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 63.64 20.87 12.46 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.718 -178.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -108.0 71.94 0.83 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.511 ' HB2' ' HB2' ' A' ' 66' ' ' GLN . 83.2 m-85 -67.48 -34.44 77.17 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.644 -177.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.48 -37.73 65.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.018 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.429 ' O ' ' HD2' ' A' ' 41' ' ' HIS . . . -73.15 -27.87 61.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.166 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.6 -37.54 73.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.414 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.417 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 7.6 mp -49.7 -54.45 31.39 Favored Pre-proline 0 N--CA 1.472 0.671 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -173.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 18.7 Cg_endo -61.7 -40.43 45.93 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 121.811 1.674 . . . . 0.0 112.842 -176.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.429 ' HD2' ' O ' ' A' ' 37' ' ' ALA . 91.0 m-70 -72.09 -41.69 67.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.898 -177.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.477 HD21 ' HA3' ' A' ' 26' ' ' GLY . 89.3 mt -67.0 -42.09 85.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.684 179.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -67.28 -31.28 71.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.299 -178.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.35 96.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.477 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.405 ' HB2' ' HD3' ' A' ' 22' ' ' ARG . . . -65.45 -37.48 87.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.645 178.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.445 HD11 HD21 ' A' ' 59' ' ' LEU . 96.4 mt -64.85 -25.09 67.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.177 178.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -71.12 -37.32 72.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.312 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -78.73 -43.8 24.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.104 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -145.06 88.76 6.69 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-O 121.07 0.462 . . . . 0.0 110.717 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -68.23 -3.93 11.75 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 123.042 2.494 . . . . 0.0 112.4 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.37 6.59 44.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.929 -177.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.493 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 12.4 t80 -72.82 93.62 1.71 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.33 -179.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.607 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 28.3 p -59.58 -34.5 72.8 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.51 -174.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.493 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 85.3 t -62.59 -36.6 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.004 0.431 . . . . 0.0 110.587 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.574 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -70.51 -32.33 69.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.024 -177.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.607 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 39.0 m0 -57.33 -47.38 81.72 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.167 0.508 . . . . 0.0 109.817 179.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.905 ' HA ' HD21 ' A' ' 95' ' ' LEU . 35.2 ttpt -66.15 -37.0 84.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.385 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -67.92 -34.33 76.42 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 88.8 mt -56.39 -52.27 65.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.584 0.23 . . . . 0.0 111.521 -177.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.425 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -61.11 -42.42 99.78 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.279 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -59.33 -45.54 91.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.955 0.407 . . . . 0.0 111.094 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.3 m -64.29 -49.12 73.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.657 -175.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 59' ' ' LEU . 3.9 mm? -61.33 -46.0 92.07 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.223 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -62.68 -40.45 97.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.542 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.76 -42.16 98.66 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.355 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.511 ' HB2' ' HB2' ' A' ' 35' ' ' PHE . 56.3 tp60 -66.93 -38.14 85.62 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.977 0.418 . . . . 0.0 110.474 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.83 18.16 2.19 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.972 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -107.98 86.69 2.34 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 69' ' ' ARG . 27.1 ttp85 -65.4 -34.98 79.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.984 -177.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.36 -46.78 72.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.567 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.94 -36.62 93.29 Favored Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.804 177.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.49 -50.32 74.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.615 0.245 . . . . 0.0 110.427 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -59.87 -43.62 94.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.447 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -56.84 -45.61 82.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.085 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.08 -40.39 86.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.556 ' CD1' HD22 ' A' ' 95' ' ' LEU . 12.7 m0 -64.82 -48.37 74.62 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.674 -179.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.19 -38.53 90.76 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.93 0.395 . . . . 0.0 110.789 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 t -65.66 -47.9 73.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.222 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.64 -27.89 72.84 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.14 -0.553 . . . . 0.0 112.38 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 76' ' ' TRP . 9.0 tp -64.28 -53.94 41.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 0.0 110.187 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.2 -30.86 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.519 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 86' ' ' ARG . . . -64.94 -44.5 89.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.036 0.446 . . . . 0.0 109.811 176.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.423 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -69.66 -38.13 76.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.767 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.481 ' OE1' HG21 ' A' ' 92' ' ' VAL . 14.5 mm100 -60.88 -44.6 96.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 110.762 175.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.6 t -66.43 -34.77 78.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.557 177.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 82' ' ' ALA . 1.8 tmt_? -75.57 -14.17 60.38 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 122.942 0.497 . . . . 0.0 111.108 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.32 28.27 64.24 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.115 -177.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -105.7 87.86 2.69 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.357 0.599 . . . . 0.0 109.476 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -64.35 -36.4 84.02 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.192 -178.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.65 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 35.5 tt0 -56.54 -48.22 77.76 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 -178.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.88 -39.04 83.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 120.958 0.409 . . . . 0.0 110.653 -176.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.481 HG21 ' OE1' ' A' ' 84' ' ' GLN . 66.2 t -59.27 -51.44 72.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.55 177.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -67.66 -30.17 69.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.728 -177.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.65 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 42.2 mt-10 -64.96 -49.6 69.68 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.899 0.381 . . . . 0.0 110.3 175.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.905 HD21 ' HA ' ' A' ' 57' ' ' LYS . 67.6 mt -66.67 -31.64 72.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.132 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.546 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 35.0 tt0 -56.55 -36.41 69.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.993 177.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.19 -40.88 84.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 110.282 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.408 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 97.3 m-85 -66.82 -37.06 83.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.724 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.63 -33.05 75.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.246 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 32.1 mtm-85 -69.12 -47.09 66.03 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.404 0.621 . . . . 0.0 110.065 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -61.67 -41.03 97.0 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.063 175.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.9 tp -58.53 -34.35 70.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.124 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.96 -36.55 83.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -68.23 -40.71 81.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.974 177.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.29 -40.79 90.27 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.286 177.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -56.8 -44.7 82.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.947 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.75 -29.15 62.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.914 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.75 -22.24 66.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.651 0.262 . . . . 0.0 111.371 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -116.93 11.02 14.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.053 0.454 . . . . 0.0 109.94 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -124.12 -7.73 7.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.581 -172.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -83.26 -15.7 49.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.648 -170.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -114.46 -55.02 2.53 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.862 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 60.83 73.57 0.48 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.415 0.626 . . . . 0.0 110.257 -176.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -138.98 140.29 38.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.535 -178.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.2 p80 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.521 -0.752 . . . . 0.0 109.747 178.957 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.59 ' HG3' ' OE2' ' A' ' 6' ' ' GLU . 50.1 ttm . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 121.019 0.438 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -129.67 150.31 51.04 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 174.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 71.63 96.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.998 0.811 . . . . 0.0 109.661 -170.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.555 HG22 ' HG ' ' A' ' 8' ' ' LEU . 38.0 mm -56.37 -13.62 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 114.39 -1.277 . . . . 0.0 112.916 -173.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.9 t -55.86 -32.52 63.71 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -173.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.59 ' OE2' ' HG3' ' A' ' 1' ' ' MET . 0.1 OUTLIER -72.4 -40.52 67.15 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 118.632 0.651 . . . . 0.0 111.031 -175.605 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -73.5 -31.02 63.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 0.0 110.238 177.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.555 ' HG ' HG22 ' A' ' 4' ' ' ILE . 98.9 mt -63.64 -43.98 95.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.128 0.49 . . . . 0.0 109.734 172.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -62.49 -32.09 72.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.444 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -61.33 -43.18 99.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.993 177.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.7 mtm -64.9 -36.3 83.93 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.209 0.528 . . . . 0.0 110.081 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.24 -40.47 90.36 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 176.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.31 -7.9 50.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.775 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 82.5 mm-40 -97.02 8.39 44.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.986 0.422 . . . . 0.0 110.139 176.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.39 25.21 48.4 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.275 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.0 m -104.12 80.93 1.78 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.336 0.589 . . . . 0.0 109.989 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -91.38 105.58 17.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.224 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.492 ' HB2' ' HB2' ' A' ' 21' ' ' LEU . 7.4 m120 -117.45 148.26 41.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.342 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 15.5 tpt -64.74 -41.44 95.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.928 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.26 20.22 2.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.797 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.492 ' HB2' ' HB2' ' A' ' 18' ' ' ASN . 47.9 tp -113.49 -52.43 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.878 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -53.27 -41.25 65.36 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.116 0.484 . . . . 0.0 110.826 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -68.24 -40.34 82.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.832 -178.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.3 m -64.4 -36.59 84.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.431 -177.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 mp -60.88 -44.93 96.4 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.817 0.341 . . . . 0.0 110.197 175.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.25 -43.92 98.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.098 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HE3' ' NE1' ' A' ' 58' ' ' TRP . 12.1 mmmm -56.94 -45.41 82.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.007 0.432 . . . . 0.0 110.912 178.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.8 m -69.25 -41.01 77.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.451 -175.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -66.58 -41.77 88.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.928 178.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.6 90.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.326 . . . . 0.0 110.92 -176.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -58.16 -32.15 67.93 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.143 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -100.04 22.26 11.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.174 -176.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 75.17 9.77 3.79 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.299 0.571 . . . . 0.0 111.593 171.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.516 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 5.9 tp60 -91.86 48.46 1.44 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.612 0.72 . . . . 0.0 109.122 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -50.49 -34.37 24.79 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.437 -175.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -52.2 -48.93 64.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.04 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.19 -27.14 59.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.462 -175.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.81 -38.87 73.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.65 -177.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.419 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 5.3 mp -52.44 -54.38 42.93 Favored Pre-proline 0 N--CA 1.47 0.572 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -173.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 25.2 Cg_endo -64.27 -33.81 58.18 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 121.697 1.598 . . . . 0.0 112.477 -178.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -71.75 -46.35 58.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.43 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.36 -36.29 78.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.715 0.293 . . . . 0.0 110.839 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -63.42 -42.17 98.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.116 178.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.25 -43.32 91.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.755 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.66 -44.62 96.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 111.207 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.421 HD21 ' HB3' ' A' ' 55' ' ' ALA . 43.7 mt -67.42 -25.88 66.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.329 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.24 -40.34 74.51 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.119 0.485 . . . . 0.0 109.898 176.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -74.11 -44.44 53.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.104 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -151.05 88.73 4.41 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-O 121.024 0.44 . . . . 0.0 111.034 -175.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -68.2 -3.41 10.73 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 123.442 2.761 . . . . 0.0 113.66 -175.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 t -79.73 -7.94 58.93 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -174.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -75.51 96.46 3.49 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.034 0.445 . . . . 0.0 111.423 -178.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.656 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 10.9 p -60.1 -31.41 70.02 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.992 -179.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.6 t -57.69 -36.59 55.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.373 177.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.421 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -69.78 -40.4 76.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.511 -178.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.656 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 3.5 m0 -60.98 -47.79 84.81 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.773 0.797 . . . . 0.0 109.505 -179.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.964 ' HA ' HD21 ' A' ' 95' ' ' LEU . 72.0 tttt -65.47 -42.55 92.16 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.507 -1.224 . . . . 0.0 111.921 -176.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.402 ' NE1' ' HE3' ' A' ' 27' ' ' LYS . 42.5 m95 -74.32 -33.98 63.34 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.404 HD13 HD23 ' A' ' 63' ' ' LEU . 1.4 tm? -60.9 -44.13 97.57 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.471 ' HA3' ' NE1' ' A' ' 76' ' ' TRP . . . -61.85 -43.94 98.53 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.39 176.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -58.15 -41.18 83.21 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.003 0.43 . . . . 0.0 110.721 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.1 m -62.49 -49.23 76.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.322 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.404 HD23 HD13 ' A' ' 59' ' ' LEU . 3.6 mm? -68.22 -34.52 76.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.596 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -67.18 -38.52 85.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.969 0.414 . . . . 0.0 110.163 176.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.91 -26.91 71.55 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.558 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -84.06 -28.51 27.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.948 0.404 . . . . 0.0 110.217 177.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.26 44.29 4.73 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.355 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -112.72 103.56 11.59 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -57.67 -49.72 75.56 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.944 -174.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.77 -47.76 65.4 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -177.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.8 -40.93 97.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.873 -176.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.22 -47.43 70.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.863 0.363 . . . . 0.0 110.59 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -62.36 -38.34 89.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.005 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -56.96 -45.92 82.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.344 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.65 -43.38 80.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.645 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.55 ' CD1' HD22 ' A' ' 95' ' ' LEU . 11.6 m0 -66.38 -48.75 69.13 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -64.17 -35.33 80.43 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.925 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.6 m -70.8 -43.3 68.96 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 177.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.45 -30.63 62.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.387 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.58 -49.0 76.99 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.17 -34.08 74.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.064 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.84 96.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.01 0.433 . . . . 0.0 109.878 176.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.43 -38.37 84.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.632 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.451 HE21 HG21 ' A' ' 92' ' ' VAL . 23.0 mm-40 -58.11 -51.16 70.86 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.155 174.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.9 m -57.45 -39.17 75.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.497 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -79.23 -12.55 59.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.655 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.07 29.51 72.28 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.039 -176.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.457 ' O ' HG23 ' A' ' 92' ' ' VAL . 8.4 t70 -99.04 83.84 2.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.396 0.617 . . . . 0.0 109.859 -177.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -63.48 -30.88 71.93 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.12 -0.946 . . . . 0.0 112.32 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -57.54 -48.22 79.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.402 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.476 HG21 ' HB2' ' A' ' 53' ' ' SER . 74.1 t -68.29 -38.09 78.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.77 0.319 . . . . 0.0 110.774 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 88' ' ' ASP . 97.0 t -57.96 -48.76 83.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.226 178.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.481 ' O ' HG23 ' A' ' 97' ' ' VAL . 59.5 mtmt -67.7 -32.12 72.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.892 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -63.49 -50.66 68.78 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 121.077 0.465 . . . . 0.0 111.129 175.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.964 HD21 ' HA ' ' A' ' 57' ' ' LYS . 69.3 mt -69.49 -32.09 70.76 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.83 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.531 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 36.1 tt0 -56.97 -37.94 72.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.022 177.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 93' ' ' LYS . 91.5 t -60.96 -44.82 98.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 121.004 0.43 . . . . 0.0 110.625 177.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.406 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 66.8 m-85 -67.28 -31.01 71.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.991 -179.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' A' ' 76' ' ' TRP . 93.4 mt -63.58 -38.17 90.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.64 177.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 21.2 mmt180 -64.85 -49.63 69.83 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 121.816 0.817 . . . . 0.0 109.628 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -56.59 -41.43 76.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.196 -1.366 . . . . 0.0 111.103 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.507 ' HG ' ' HZ3' ' A' ' 76' ' ' TRP . 3.2 tm? -60.86 -43.72 97.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.367 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.04 -32.6 73.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.354 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 73.6 mtt-85 -70.93 -39.96 72.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.669 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -65.91 -39.42 90.57 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.09 175.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.27 -49.02 75.42 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.654 174.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 111' ' ' HIS . . . -55.78 -28.48 56.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.183 -177.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.9 mt -62.61 -19.74 64.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.698 0.285 . . . . 0.0 111.575 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -126.48 12.11 7.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.98 0.419 . . . . 0.0 110.115 177.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -137.78 10.66 2.89 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.558 -170.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 107' ' ' ALA . 2.0 t60 -76.47 -63.5 1.32 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.218 -173.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -110.25 8.26 23.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.217 0.532 . . . . 0.0 110.361 -178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.93 104.8 12.53 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 173.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -94.93 -4.36 46.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.145 0.498 . . . . 0.0 110.45 -173.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 . . . . . 0 C--O 1.249 1.064 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.841 177.468 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.4 mtm . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 121.025 0.44 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -97.45 144.95 26.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.749 177.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.18 169.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 122.128 0.966 . . . . 0.0 111.707 -177.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.472 ' O ' HD23 ' A' ' 8' ' ' LEU . 65.8 mt -64.81 -23.26 33.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.236 175.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.504 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 17.6 m -60.51 -52.74 63.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.429 -176.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -69.17 -38.13 78.56 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -172.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -64.92 -37.26 87.06 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.385 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.533 ' HA ' ' HG2' ' A' ' 11' ' ' MET . 3.8 mm? -67.26 -41.75 85.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.028 176.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 5' ' ' THR . 51.5 mm-40 -56.37 -44.63 80.36 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.892 0.377 . . . . 0.0 110.772 177.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.58 -48.87 65.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.45 -178.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.533 ' HG2' ' HA ' ' A' ' 8' ' ' LEU . 26.7 ptm -69.93 -32.17 70.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.582 0.23 . . . . 0.0 111.185 -174.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.38 -44.73 96.66 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 177.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.71 -21.98 64.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.427 -178.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -78.53 -9.52 59.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.899 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.97 26.66 5.43 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.726 -0.749 . . . . 0.0 113.053 177.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.5 m -108.96 79.56 1.23 Allowed 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.144 0.497 . . . . 0.0 110.819 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -91.09 92.05 8.54 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 174.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.443 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 15.4 t-20 -85.5 170.38 12.7 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.506 -174.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.9 ttt -76.1 -50.93 13.34 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.371 -176.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.554 HD23 ' H ' ' A' ' 20' ' ' LEU . 2.6 pt? -85.04 15.3 4.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.747 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.701 ' HB3' HH11 ' A' ' 22' ' ' ARG . 0.3 OUTLIER -56.24 -42.14 76.87 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.932 -179.614 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.701 HH11 ' HB3' ' A' ' 21' ' ' LEU . 4.6 mpt_? -69.63 -40.45 76.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.547 -177.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -69.92 -42.43 73.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.312 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 t -64.29 -34.59 78.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.184 -175.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.2 mt -71.82 -36.65 70.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.945 0.402 . . . . 0.0 110.475 175.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.477 ' HA2' ' HD2' ' A' ' 29' ' ' TYR . . . -60.88 -28.37 68.38 Favored Glycine 0 C--N 1.332 0.354 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.528 179.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.456 ' HE2' ' CZ2' ' A' ' 58' ' ' TRP . 16.2 mmtp -56.14 -49.86 72.74 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.765 0.317 . . . . 0.0 111.056 177.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.5 m -67.69 -33.72 75.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.242 -176.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.477 ' HD2' ' HA2' ' A' ' 26' ' ' GLY . 48.8 m-85 -66.89 -46.35 75.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.748 0.308 . . . . 0.0 110.18 176.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.79 -41.87 74.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.217 -175.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -68.46 -22.58 64.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.07 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -96.51 18.07 14.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 110.968 175.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 68.68 15.4 9.05 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.824 172.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -97.93 71.11 2.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.376 0.608 . . . . 0.0 109.91 175.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 62' ' ' THR . 93.2 m-85 -67.33 -30.72 70.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.514 179.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -56.82 -48.42 78.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.586 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.418 ' O ' ' HD2' ' A' ' 41' ' ' HIS . . . -74.64 -32.1 62.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.366 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.47 -38.69 71.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.839 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.446 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 1.8 tt -51.81 -53.76 47.52 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -172.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 18.8 Cg_endo -59.71 -33.69 96.38 Favored 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 122.106 1.871 . . . . 0.0 112.734 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.418 ' HD2' ' O ' ' A' ' 37' ' ' ALA . 60.6 m-70 -71.56 -44.41 64.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.638 0.256 . . . . 0.0 110.718 -178.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.65 -38.99 88.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.727 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 43' ' ' ARG . 32.3 ttt85 -61.98 -42.76 99.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.711 0.291 . . . . 0.0 110.603 177.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.47 -34.95 77.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.883 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.92 -47.53 62.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.011 177.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.0 mt -65.38 -29.05 69.73 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 111.892 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.2 -45.53 92.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.263 0.554 . . . . 0.0 110.298 176.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -83.31 -39.1 21.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.252 -177.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -120.0 86.54 37.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.938 0.399 . . . . 0.0 111.262 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.65 -4.24 14.97 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.924 2.416 . . . . 0.0 111.905 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.62 5.86 43.98 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -177.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.599 ' CE2' ' HB ' ' A' ' 54' ' ' VAL . 10.0 t80 -88.12 86.76 7.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.021 0.439 . . . . 0.0 110.059 179.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.591 ' HA ' ' CD2' ' A' ' 56' ' ' TRP . 3.8 m -48.71 -42.05 33.8 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.268 -178.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.599 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 38.2 t -58.8 -35.93 58.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.137 -178.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.9 -31.2 64.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.504 -176.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.591 ' CD2' ' HA ' ' A' ' 53' ' ' SER . 6.9 m0 -61.88 -47.96 82.67 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 176.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.616 ' HE3' ' HB3' ' A' ' 94' ' ' GLU . 29.9 tttm -66.12 -36.86 84.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.553 -177.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.456 ' CZ2' ' HE2' ' A' ' 27' ' ' LYS . 23.0 m95 -74.85 -31.38 61.62 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 178.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -60.33 -45.25 94.1 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.65 -41.06 99.87 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.995 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -62.62 -36.19 81.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.844 0.354 . . . . 0.0 111.311 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.414 ' HA ' ' CD1' ' A' ' 35' ' ' PHE . 58.4 m -64.95 -42.37 94.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.604 179.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.27 -32.62 71.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.481 178.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.447 HE21 ' HH2' ' A' ' 76' ' ' TRP . 6.6 tp-100 -59.17 -49.38 78.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.383 175.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.45 -27.06 68.48 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.537 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -71.61 -16.6 62.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.075 0.465 . . . . 0.0 110.455 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.61 22.98 48.66 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.455 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -109.69 89.29 2.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -66.37 -31.37 72.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.17 -176.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.01 -49.53 60.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.321 . . . . 0.0 110.786 -178.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.4 -40.72 96.44 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.865 178.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.14 -41.95 85.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.893 0.378 . . . . 0.0 110.707 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -55.67 -51.9 65.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.274 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -70.62 -36.56 73.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.461 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.38 -40.68 89.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.611 -177.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.535 ' CD1' HD22 ' A' ' 95' ' ' LEU . 12.0 m0 -66.68 -35.66 80.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.922 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 73' ' ' ARG . 35.8 mt-10 -60.01 -40.51 89.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.051 0.453 . . . . 0.0 110.178 174.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.1 t -71.77 -37.45 70.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.125 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.09 -39.86 94.84 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.201 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.5 -47.86 84.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.33 0.11 . . . . 0.0 110.913 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.49 -32.6 74.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.697 0.284 . . . . 0.0 111.075 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.414 ' O ' ' HD2' ' A' ' 86' ' ' ARG . . . -66.97 -45.31 78.09 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.56 -39.49 84.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.803 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.66 HE21 HG21 ' A' ' 92' ' ' VAL . 22.8 mm-40 -61.4 -44.63 96.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.127 176.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.2 t -64.32 -38.98 92.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.642 178.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.414 ' HD2' ' O ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -76.05 -14.0 60.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.63 0.252 . . . . 0.0 111.469 177.308 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.54 18.28 79.87 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.445 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 92' ' ' VAL . 9.1 t0 -85.73 90.14 7.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.718 0.771 . . . . 0.0 109.767 -176.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -60.49 -41.54 94.46 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.331 -1.304 . . . . 0.0 112.108 -178.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.5 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 40.8 tt0 -56.69 -47.82 79.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.369 -177.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 68.9 t -66.6 -37.89 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.656 -174.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.66 HG21 HE21 ' A' ' 84' ' ' GLN . 67.0 t -58.88 -45.45 91.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.187 177.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.452 ' O ' HG23 ' A' ' 97' ' ' VAL . 55.9 mtmt -67.53 -41.92 83.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.968 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.616 ' HB3' ' HE3' ' A' ' 57' ' ' LYS . 30.2 mt-10 -62.6 -49.05 76.74 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.784 0.326 . . . . 0.0 111.313 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.611 HD21 ' HA ' ' A' ' 57' ' ' LYS . 51.0 mt -66.78 -32.84 74.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.035 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.502 ' HA ' HD12 ' A' ' 99' ' ' LEU . 36.3 tt0 -61.66 -30.69 70.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.684 179.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 93' ' ' LYS . 99.1 t -62.0 -41.66 91.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.569 177.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.431 ' HD2' ' HA ' ' A' ' 95' ' ' LEU . 45.5 m-85 -67.15 -34.76 78.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.685 -179.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 96' ' ' GLN . 97.5 mt -58.45 -37.24 75.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.231 179.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.455 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 16.0 mtt-85 -64.51 -45.27 87.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 109.831 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -66.18 -38.72 88.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.855 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.417 HD23 HE22 ' A' ' 64' ' ' GLN . 2.2 tm? -64.86 -43.21 93.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.441 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.83 -32.34 71.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.649 -178.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 100' ' ' ARG . 98.2 mtt180 -59.37 -40.27 85.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.745 0.307 . . . . 0.0 111.026 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -69.36 -42.78 74.77 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.769 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.09 -46.6 86.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.283 0.563 . . . . 0.0 110.526 178.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.81 -28.07 33.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.736 -1.12 . . . . 0.0 112.104 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 94.9 mt -55.47 -44.38 76.39 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.737 0.303 . . . . 0.0 111.211 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -101.65 -1.6 32.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.548 0.69 . . . . 0.0 110.409 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -103.26 9.19 38.23 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.856 -179.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -62.36 -31.32 71.95 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.127 177.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -72.76 -56.39 5.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.967 -176.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 10.2 t60 54.99 67.72 0.97 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.382 177.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -83.14 -34.68 25.99 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 170.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 9.9 m170 . . . . . 0 C--O 1.247 0.947 0 CA-C-N 114.321 -1.309 . . . . 0.0 108.343 170.783 . . . . . . . . 0 0 . 1 stop_ save_